[gmx-users] Chloroform simulation-Fatal error: Invalid angle type 1000

Lakshman Ji Verma lakshmanjivrm at gmail.com
Mon Mar 18 23:11:31 CET 2019

Hi everyone,

I figured out the problem in my topology. One line which was supposed to be
commented was not.


On Mon, Mar 18, 2019 at 3:18 PM Lakshman Ji Verma <lakshmanjivrm at gmail.com>

> 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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