[gmx-users] vsites with CHARMM force fields

Erik Marklund erik.marklund at kemi.uu.se
Fri Mar 31 14:53:36 CEST 2017

On 31 Mar 2017, at 10:51, Ramon Crehuet Simon <ramon.crehuet at iqac.csic.es<mailto:ramon.crehuet at iqac.csic.es>> wrote:

In that case, does it make sense to use virtual sites to allow 4fs time step? In other words, if vsites remove the fastest degrees of freedom, but we do not constrain bond distances, will a 4 fs time-step be stable?


Kind regards,
Erik Marklund

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