How to improve the performance by using NAMD for MD on windows OS?

More Dr. Rohan Meshram's questions See All

Are you looking for research collaboration ?

we have few papers ready for submission, and we need one co-author for each article who can pay article fee. Interested authors may text here or contact me on my following email id [email protected]

29 July 2024 6,626 0 View

Dear researchers. pl help how to plot jablonski energy level graph and magnetic hysteresis curve in origin?

through origin software

17 July 2024 4,991 0 View

How is artificial intelligence being utilized to enhance the diagnosis and treatment of sleep apnea?

AI has the potential to improve the management of sleep apnea by personalizing treatment, enhancing diagnostic accuracy, and advancing our understanding of the condition.

03 July 2024 9,393 2 View

Action research design is Quantitative Studies or Qualitative Studies?

14 June 2024 1,684 1 View

Offer or collaboration for book publications?

Dear Profs/ Scientist, if any one is interested or have plan to publish a good quality books/ book edited , I can contribute/help such type of research works . My research...

06 June 2024 5,932 2 View

How to draw SeDeM diagram for preformulation study of drug and excipients?

What is SeDeM expert tool? Is it in silico tool and how to draw the SeDeM diagram for preformulation study? Kindly suggest.

06 June 2024 4,408 0 View

Call of book chapter ?

CALL FOR BOOK CHAPTERS (No Publication Fee) Scrivener Publishing/wiley Dear Prof,Scientist/ experts, Greetings. We are editing the book entitled " FET Devices: Post CMOS Theory and Applications...

28 May 2024 9,284 0 View

Is there a Raising awareness of indigenous medicine among metropolitans?

The growing interest in holistic health practices is leading to increased awareness of indigenous medicine among metropolitan populations. While challenges exist in terms of access and cultural...

09 May 2024 7,041 1 View

Why many times RG is sending email? Is this person is co author or published article? Many times it is been sending.?

Pls dont send many times email is this person is co author or published article? Many times it is been sending. Pls stop it ok

06 May 2024 3,964 3 View

What is the protocol to maintain 260/280 and 260/230 and to get pure DNA from ruminant faeces using Dneasy PowerSoil pro Kit?

I used the Dneasy PowerSoil Pro Kit. But I didn't get a good ratio of 260/280 and 260/230 and didn't get a good band after electrophoresis. I maintain all procedures according to the...

29 April 2024 1,242 4 View

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...

06 August 2024 1,495 2 View

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,727 4 View

How to Add Missing Water Molecules in Protein-Membrane Simulations?

I have protein-membrane simulations (PDB, PSF, DCD) and have noticed that water molecules near the protein are not visible in the simulations. How can I fix this issue? Is there a way to place the...

04 August 2024 1,200 2 View

How to start a Molecular Dynamics Simulation?

Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...

03 August 2024 3,371 3 View

Which will be the best software for the Hydration shell analysis with molecular dynamics?

I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?

02 August 2024 3,143 4 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out?

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...

31 July 2024 781 1 View

CAD File of human's & rat's respiratory airways ?

Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...

29 July 2024 1,092 2 View

How to restart MD without using checkpint file in GROMACS?

Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar

29 July 2024 3,084 8 View

AutoGrid and Autodock 4.2.6 window opens for 1 second then closes and there is no output files?

Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...

28 July 2024 2,136 4 View

Ivan Anashkin

Molecular dynamics does not require a lot of memory. Adding more memory will not affect on performance. Instead this better to use GPU for simulation.

Alexey Nikitin

@Ivan Anashkin

On the contrary, if algorithm uses the lists of atoms pairs it require a lot of memory. This can greatly limit the size of the model.