Re: [gmx-users] Pairwise forces

Thanks a lot for the replies. What we would like to have are the pairwise forces. I, however, was not sure if gromacs saves the pairwise forces to the trajectory file or not (I now figured out with gmxdump that atomic forces are saved). I also came across the mdrun -rerun option, but I was not

Re: [gmx-users] Pairwise forces

On Fri, Nov 19, 2010 at 12:15, Reiner Ribarics wrote: > Our group has already done some rather long simulations and according to the > script files forces are written every 1 steps and can be accessed via > trjconv with -cf option that assigns each atom a temperature factor. I was > wondering

Re: [gmx-users] Pairwise forces

On 19/11/2010 10:15 PM, Reiner Ribarics wrote: Dear all, I know similar topics have already been discussed, but there is a question regarding pairwise forces that could not be resolved by reading the mailing list. Our group has already done some rather long simulations and according to the

[gmx-users] Pairwise forces

Dear all, I know similar topics have already been discussed, but there is a question regarding pairwise forces that could not be resolved by reading the mailing list. Our group has already done some rather long simulations and according to the script files forces are written every 1 step