Re: [gmx-users] Position restrains calculation of virial

Hi Johannes, On Wed, Jan 8, 2020 at 11:29 AM Johannes Hermann wrote: > Dear all, > > how is the virial computed when position restraints are applied? Are > forces due to position restrains included or excluded? > > Yes the the forces due to position restrains are included. But I think that

[gmx-users] Position restrains calculation of virial

Dear all, how is the virial computed when position restraints are applied? Are forces due to position restrains included or excluded? Thanks! All the best Johannes -- __ *Technische Universität München* *Johannes Hermann, M.Sc.* Lehrstuhl für