[gmx-users] about PRODRG
fancy2012 at yeah.net
Tue May 25 10:11:15 CEST 2010
Dear GMX users,
When I prepare the topology file of one small molecule using PRODRG, I find that the generated topology file is for another molecule. The only difference between the two molecules is that the latter one has one more double bond. How should I deal with such problems? Thanks very much!
All the best,
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