Hi everyone, I am trying to simulate an organic molecule with chloroform as a solvent. I prepared opls based topology for both the molecules from Ligpargen server. The topology for chloroform works fine when I have only chloroform in the system. I checked it against work done previously. However, when I add the organic molecule in the system, it gives a *fatal error: Invalid angle type 1000.*
I am sure that the topology for the organic molecule is correct because I have used it with water and ethanol earlier. I found several similar threads but none was helpful for my case. https://gromacs.org-gmx-users.maillist.sys.kth.narkive.com/olYXyODT/invalid-diherdrals#post2 https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2011-June/062099.html https://groups.google.com/forum/#!topic/archive-gmx-users/sxdFG1iMbqI I checked several times. There are no spelling errors. I have also tried changing the columns of the atom numbers in angles section. I am wondering if someone encountered such problem and can help me with this. I would be very grateful. I have attached the topology files. Thanks Lakshman
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