[gmx-users] -vsite in Umbrella sampling

Erik Marklund erikm at xray.bmc.uu.se
Thu Apr 4 19:35:57 CEST 2013

I always do. There's nothing particular about umbrella sampling in this respect.

On 4 Apr 2013, at 17:33, raghav singh <raghavbioinfo at gmail.com> wrote:

> Hello Fellow Users,
> I have a question regarding US simulation.
> I am interested to know that can I treat hydrogens as virtual sites in US
> simulations??
> I have very large protein complexes and to use higher time stepping during
> simulations...I am thinking to use -vsite option.
> what do you guys suggest??
> Thank you
> Raghav
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