[gmx-users] CHARMM-->GROMACS

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Tue Feb 11 16:51:35 CET 2003

Dear All,

have anyone tried to include CHARMM into GROMACS? We have been converting
CHARMM forcefield and next step is to add the subroutine for Urey-Bradley
to the GROMACS program. I would like to start by adding a code to the
force.c  subroutine, is it the right way?


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