Is there any online software to develop it from pdb file of a single unit of C6S? I have used Accelrys Draw to develop a model for a single unit of C6S. How do I check if the atoms are oriented in the correct manner?
Using VMD you are able to create 3D structures. You may also be able to create your structure.
http://www.ks.uiuc.edu/Research/vmd/
I'm trying to study the viscoelastic behavior of epoxy through indentation. But for modeling in ABAQUS, I cannot use plastic definition along with viscoelastic parameters. So I was wondering if I...
08 September 2018 8,078 0 View
I used an nvt.mdp file obtained online and modified some parameters. I know that persistence length of C6S is 4 to 6. But I am just trying to simulate a single unit of C6S. So is it the reason why...
02 March 2014 7,350 13 View
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
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
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
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
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
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? For example consider a process for certain product manufacture where a new process flow...
31 July 2024 781 1 View
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
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
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