[gmx-users] opls to gromos conversion

Minami Mo minami.mo at gmail.com
Tue Jul 26 10:49:12 CEST 2005

Dear gromacs users,

I would like to use the output from a simulation using OPLS ff to run
in GROMOS ff. Does anyone know if there is a way of doing it, while
keeping all the coordinates (including water)? I tried feeding the
output pdb (from the first simulation) to pdb2gmx and it prompted out
errors saying that it couldn't recognize some H, and it works only if
I remove all hydrogens.

Thanks for all inputs.


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