[gmx-users] Using pdb2gmx with martini (coarse-grained) model to assign termini charges
mark.j.abraham at gmail.com
Tue May 24 23:19:05 CEST 2016
If you've already arranged your own termini, then you can choose "None"
from the options pdb2gmx presents.
On Tue, May 24, 2016 at 11:15 PM Sourav Ray <souravray90 at gmail.com> wrote:
> I am trying to put selective charges on the termini, I am getting stuck at
> the initial stage where I am supposed to mention the force-field needed. As
> martini termini differ from conventional ones, I am unable to bypass NH3+
> or COO- termini options at the start and end respectively as there is no
> appropriate force-field option present there. Please let me know if anyone
> has a workaround.
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * 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