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

Lakshman Ji Verma lakshmanjivrm at gmail.com
Mon Mar 18 21:19:00 CET 2019

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

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.

I checked several times. There are no spelling errors.
I have also tried changing the columns of the atom numbers in angles

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.


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