[gmx-users] Can I fix atoms and apply load to another atoms?

2012-01-17 Thread Talal E. AlOtaibi
Hi guys, I have question about gromacs. I am doing SMD using gromacs and I don't know if gromacs can do this simulation: fixing atoms and applying load to another atoms at the same time? if yes how, if no what another programs can do it? Thanks, Talal

[gmx-users] Problem with Position Restraints (before running SMD)!

2012-01-19 Thread Talal E. AlOtaibi
Hi guys, When I did my SMD simulation by applying load to a certain group of atoms and fixing certain atoms by modifying the topology file, the points that i have fixed moved from there original position. I don't know what the problem is! Any suggestion! To make what I was doing clear, I st