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

Dallas Warren dallas.warren at monash.edu
Mon Mar 18 23:21:42 CET 2019

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Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
When the only tool you own is a hammer, every problem begins to resemble a

On Tue, 19 Mar 2019 at 07:19, 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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