[gmx-users] EM in vacuum

Mustafa Toprakçý denn22 at excite.com
Fri Feb 21 09:47:55 CET 2003

 Thanks Dr. Warren  One thing I will ask is that in the gromacs manual it writes -DFLEX_SPC must be used  with  cg or steep aigorithms. But when I perform EM in vacuum I don't use any water molecules. Should I still use this option in the mdp file?and what should be type of vdwtype and coulombtype parameters? Regards,Dr. Mustafa Toprakçý   

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