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

[Dallas Warren]

Post the files to a file uploading website/server, emailing list does not
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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
nail.


On Tue, 19 Mar 2019 at 07:19, Lakshman Ji Verma <lakshmanjivrm at gmail.com>
wrote:

> 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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