Does anybody know how to split a multimodel PDB file created by GROMACS?

More Niyaz Safarov's questions See All

Glacier surface velocity using UAV data?

Is It possible to prepare glacier surface velocity using UAV data? Methodology and which program can do it? Thanks in advance.

15 October 2023 3,421 0 View

How to calculate glacier mass balance using UAV data?

What period of time does this need to cover or can it be done between two shoots?

15 October 2023 8,474 0 View

Satellite resources for Disaster mapping and modeling?

Remote sensing, mapping, modeling, Disaster

23 November 2022 9,203 12 View

Is there a way to calculate the depth of a lake using the height of surrounding areas or the DEM?

Does the DEM show the depth of the lake or the surface of the lake?

25 October 2022 9,677 8 View

How to find geographers and environmental scientists throughout the world who would like to be co-authors of scientific articles?

How to find scientists and researchers that are willing to publish papers together?

20 January 2017 7,412 6 View

Will Ag2O decompose at room temperature in the presence of light?

Grinding Ag2O with other chemicals in the glove box at room temperature. Since Ag2O is photosensitive, would it decompose at room temperature?

10 August 2016 6,493 3 View

Does anyone have information on missing loop residues coordinates?

Dear Friends, Does anybody know if there is a free program with gui to restore the coordinates of a short missing loop in a single protein chain. There are only 5 residues in the loop and the...

27 September 2014 455 5 View

How do you obtain particle size distribution from SEM?

30 June 2014 1,292 5 View

Gromacs first step of minimization ?

I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...

07 August 2024 2,598 1 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 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

Niyaz Safarov

Thank you, dear Stephane, your answer is very helpful )))

Abolfazl Noorjahan

just remove all middle lines between structure. In Linux you can easily do that by something like this:

grep -v -i -e "END" yourfilenae > yournewfilename

This simply remove all END from you file. Then you are good to see you structure in PyMol. or VMD.

Nice aproach, Noorjahan ! I should have guessed it myself, Respect