Re: [gmx-users] Regarding system shrunk

2019-12-09 Thread Paul Buscemi
You did not mention the type of surface, but in real life an extruded polymer is under stress and you must restrain the ends. As in real life a heated uncrosslinked polymer will shrink. The system probably behaved appropriately PB > On Dec 9, 2019, at 11:31 AM, Mijiddorj B wrote: > > Dear G

[gmx-users] Regarding system shrunk

2019-12-09 Thread Mijiddorj B
Dear GMX users, I study the interaction between polymer and surface interactions. Polymer parameters were prepared by cgenff, and the parameters of the surface were solved by INTERFACEFF. I performed short simulations, however, the system was shrunk. I used the standard mdp file of charmm-gui memb