[gmx-users] query regarding Fe4S4
thakur.subarna at yahoo.co.in
Mon Jul 20 08:00:43 CEST 2009
I have generated the individual charges of Fe4S4 cluster with Gaussian programm.I have all the interatomic distances and diherdral.I ahve also generated the .top file of the Fe4S4 cluster with the help of mktop pogramm.Can anybody please suggest how do I generated the .itp file for the Fe4S4 cluster.Do I have to do it manually? Isnt there any other way?
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