[gmx-users] Using pdb2gmx with martini (coarse-grained) model to assign termini charges

Mark Abraham 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:

> Hello
> 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.
> Regards
> Sourav
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