[gmx-users] CMAP request

Sudip Roy s.roy at ncl.res.in
Tue Oct 20 16:33:38 CEST 2009

Dear Users,

  We are trying to convert CHARMM force field for MTSSL (a small 
molecule which is used as EPR label) into gromacs
format. But in CHARMM they have CMAP. I checked the gromacs mailing 
archive and found that there is a gromacs
CVS where CMAP implementation is done.

     It will be very helpful for us if we get a copy of the code.

Please suggest me if I should mail it to developers list.

Thanking you.



Dr. Sudip Roy
Physical Chemistry and Material Science Division
Scientist C
National Chemical Laboratory
Pune 411008

Tel.  +91 2590 2735 Office
Email s.roy at ncl.res.in

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