[gmx-users] Problem with energy minimization parameters

Hi all, I have 3 protein-drug complexes (same protein and different drugs) i performed 20 ns molecular dynamics simulation..using same parameters (i mean energy minimzation parameters) ..2 of them was successful for MD simulation..(im using Charmm 27 Force field) But 1 drug protein complex is fa

Re: [gmx-users] Problem with energy minimization parameters

On 7/16/13 11:05 AM, Sainitin Donakonda wrote: Hi all, I have 3 protein-drug complexes (same protein and different drugs) i performed 20 ns molecular dynamics simulation..using same parameters (i mean energy minimzation parameters) ..2 of them was successful for MD simulation..(im using Charm