From: Aravinda Munasinghe (aravinda1879_at_gmail.com)
Date: Tue Jul 09 2019 - 22:00:31 CDT
You need to add the str file along with par_all36_cgenff.prm
par_all36_prot.prm to your configuration file. Since CHARMM using analog
parameters, not all are defined in distributed cgenff.
On Tue, Jul 9, 2019 at 9:25 PM Nirmitee Mulgaonkar <
> I am trying to run the minimization step for my simulation in NAMD.
> The log file showed the following error message:
> FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR CG2O4 CG311 (ATOMS 1220
> I am using the following parameter files:
> I generated the str file for my ligand from https://cgenff.paramchem.org/ using
> the mol2 file from ZINC15.
> I cannot find BOND PARAMETERS FOR CG2O4 CG311 in any of the parameter
> files from the recently updated toppar_c36_jul18.tgz
> Please let me know what can be done.
> *Nirmitee Sanjay Mulgaonkar | Graduate Research Assistant*
> Biological and Agricultural Engineering
> Texas A&M University
-- Aravinda Munasinghe,
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