[gmx-users] problem with dimer simulation !
kay.gottschalk at physik.uni-muenchen.de
Sat Sep 9 17:42:34 CEST 2006
try - cluster, and then as cluster group protein.
On Sep 9, 2006, at 11:09 AM, C.W. Liang wrote:
> hi, all user:
> i performed the dimer simulation, and want to realize the
> interaction between two peptides.
> but frequently, i encountered this kind of problem: sometimes
> peptides moved out of the box, and sometimes they jumped back.
> i have tried so many way to pull them back with trjconv command,
> but still cause some unexpected problem.
> for example, peptides break to many parts ( with -pbc whole ) or
> diffuse out of box gradually ( with -pbc nojump )
> with -ur or -center still not the trajectory i really want. i think
> maybe there are some tricks to perform.
> any suggestions for me ? thanks sooooooooooo much!
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