[gmx-users] Constrain, ensemble.

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Mon Apr 29 20:39:30 CEST 2002

Dear All,

I would like to simulate a system with the following features:

1) Unconstrain the bonds that involve H-atoms and constrain the rest bonds

2) NVE ensemble

I have had a look at the GROMACS manual but I do not see the options for
that. Any help is appreciated!


More information about the gromacs.org_gmx-users mailing list