Hi Akshay,
Which version of Amber are you using?
Amber20 should support nrmopt=1 for CoM angle and torsion for pmemd and
pmemd.cuda.
On Wed, Sep 2, 2020, 9:10 AM David A Case <david.case.rutgers.edu> wrote:
> On Wed, Sep 02, 2020, Akshay Prabhakant wrote:
>
> >since I found out that there is no support for PLUMED in pmemd,
>
> This should not be true (at least, any more). If you are using Amber20, be
> sure to apply all updates, since very recent ones update sander and pmemd
> to
> the new plumed API. Older versions of Amber should also work, but it may
> be
> trickier to get going.
>
> Beyond that, check out section 23.4.2, which describes the COM_TORSION
> collective variables.
>
> ....good luck....dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 02 2020 - 07:30:05 PDT
