[gmx-users] How to fix protein went out water?

Thales Kronenberger kronenberger7 at gmail.com
Tue Jun 17 16:55:40 CEST 2014


Hi Batsaikhan

You should re-do the simulation, perfoming it within a box of water with
PBC (you can do this with the editconf)

Kind regards
Thales


2014-06-17 8:56 GMT-03:00 Batdorj Batsaikhan <batsaikhanbat at yahoo.com>:

> Dear gmx_users,
>
> I am working on simulation of protein in water. 10 ns after the protein
> went out from water. How to fix this? Can I continue my simulation?
>
> Best regards,
>
> Batsaikhan
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>


More information about the gromacs.org_gmx-users mailing list