[gmx-users] Speed up simulations with GROMACS with virtual interaction sites

ABEL Stephane Stephane.ABEL at cea.fr
Fri Apr 6 09:51:34 CEST 2018

Hi gmx users, 

I know that it is possible to speed up  the simulations by a factor 2 (by using a larger timestep) in GROMACS with virtual interaction sites. By I do not find a clear procedure on the web in particular if I use CHARMM. Do you have any pointers or procedures and examples of mdp files to share with me



More information about the gromacs.org_gmx-users mailing list