[gmx-users] -vsite in Umbrella sampling

raghav singh raghavbioinfo at gmail.com
Thu Apr 4 17:33:22 CEST 2013

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
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

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