[gmx-users] EM in vacuum

[Mustafa Toprakçý]

 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   

_______________________________________________
Join Excite! - http://www.excite.com
The most personalized portal on the Web!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20030221/b3c11caa/attachment.html>