Which force fields can I use to run molecular dynamics of PAMAM dendrimers in Gromacs??, I have tried different force fields in Gromacs with no success..
Thank you,
I am simulating Protein-ligand interaction using gromacs and now I am getting this problem. Please held how to fix it. Fatal error:Too many LINCS warnings (1001)If you know what you are doing you...
07 August 2017 4,122 8 View
Calculating Protein-lingand interation using MM/GBSA and MM/PBSA
04 May 2017 7,321 8 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
16 June 2021 0 0 View
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View
I am writing to request some information for making polymer color flakes. I would appreciate the help.
17 March 2021 0 0 View
Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...
03 March 2021 9,989 2 View
Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...
03 March 2021 5,978 5 View