VMD-L Mailing List

From: Alex Saad-Falcon (alexsaadfalcon_at_gmail.com)
Date: Mon May 21 2018 - 13:05:32 CDT

Hello all,

I am currently trying to parameterize the ligand for the protein here:
https://www.rcsb.org/structure/3szt
swissparam.ch 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

<https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail&utm_term=icon>
Virus-free.
www.avast.com
<https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail&utm_term=link>
<#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2>