From: jrhau lung (
Date: Mon May 21 2018 - 19:22:37 CDT

Hi Alex:
    Although this does not answer your question, and is not the a correct
way to obtain a good force filed parameter, maybe you try the CGenFF by
Dr. Vanommeslaeghe?



2018-05-22 2:05 GMT+08:00 Alex Saad-Falcon <>:

> Hello all,
> I am currently trying to parameterize the ligand for the protein here:
> just results in parameters that cause the ligand to explode
> when run in namd.
> I do not have Gaussian, and my university is on their ban list. If someone
> could do the parameterization for me, I would be very grateful. It should
> not take too long since it is just a single ligand.
> I can send you the pdb files for just the ligand if you ask. Thanks in
> advance,
> Alex
> <> Virus-free.
> <>
> <#m_7296043745088095337_DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2>