[gmx-users] implicit solvent with periodic molecules
Vitaly V. Chaban
vvchaban at gmail.com
Thu Oct 29 12:49:25 CET 2015
Yes. It is formally possible.
I do not think that implicit solvation precludes PBC usage.
On Thu, Oct 29, 2015 at 9:40 AM, Анна Павловна Толстова <
tolstova at physics.msu.ru> wrote:
> Hello, gmx_users.
> Is that possible to simulate a protein adsorption on graphite sheet with
> implicit solvent? It works good in vacuo and with explicit solvent with
> periodic-molecules = yes. But implicit solvent requires no PBC so that
> periodic molecules should be switched off too. Is there any idea how to
> perform this simulation?
> Best wishes,
> Tolstova Ann
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