[gmx-users] Accelrys to Gromacs

Tandia, Adama TandiaA at Corning.com
Fri May 19 00:07:50 CEST 2006

Dear users,

Does anyone know a way to convert a typed structure from Discover
Accelrys, using Compass or cvff, and export the structure into a
topology and .gro files with all the force field parameters, LJ, bonds,
angle, dihedrals ... I have seen this with Lammps (msi2lmp.exe) and I do
not know if it is possible to do the same thing with Gromacs.




Adama Tandia
Modeling & Simulation
Corning INC
SP TD 01-01
Corning NY 14831 USA
Tel:  607 248 1036
Cell: 607 206 3158
Fax: 607 974 3405

More information about the gromacs.org_gmx-users mailing list