[gmx-users] Regarding system shrunk

[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 <b.mijiddorj at gmail.com> wrote:
> 
> 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 membrane builder
> excluding the smaller time steps and no-constraints.
> 
> If you have any experience, please advise me on how to solve this problem.
> 
> Best regards,
> 
> Mijiddorj
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