Multiple CustomNonbondedForce
Posted: Fri Aug 25, 2023 5:59 am
Hello Peter,
Reading your answers to some of the previously asked questions, I came to know that more than one CustomNonbondedForce can be added to the system. But when I was added 2 CustomNonbondedForces in my forcefield (.xml) file and ran the calculations. I got the following error:
openmm.OpenMMException: CustomNonbondedForce: Multiple exclusions are specified for particles 110 and 111
I did not specify any exclusion but still I am getting this error.
Can you please let me know what could be the reason for this error and the correct way to add more than one CustomNonbondedForce as I was looking but could not find anything related to it in the documentation.
Regards,
Robin Singh
Reading your answers to some of the previously asked questions, I came to know that more than one CustomNonbondedForce can be added to the system. But when I was added 2 CustomNonbondedForces in my forcefield (.xml) file and ran the calculations. I got the following error:
openmm.OpenMMException: CustomNonbondedForce: Multiple exclusions are specified for particles 110 and 111
I did not specify any exclusion but still I am getting this error.
Can you please let me know what could be the reason for this error and the correct way to add more than one CustomNonbondedForce as I was looking but could not find anything related to it in the documentation.
Regards,
Robin Singh