From: Ivan (ivanlosperez_at_gmail.com)
Date: Tue Jul 03 2018 - 03:40:29 CDT
Thank you very much for all the work you do and keeping the NAMD project
I've recently seen an article about a customized force field for GROMACS
with an .itp extension and a .xvg tabulated table for the dihedral
interactions. I would like to convert that to use it on NAMD and continue
to make accurate simulations using NAMD, so it has to have AMBER or CHARMM
format I guess.
I've searched the internet and on this site I found this:
"... the Gromacs force field uses a different type of function
(for proper and improper dihedrals) than the Charmm force field. Gromacs
appears to use harmonic and periodic functions while Charmm uses modified
Fourier series. "
How can I solve this? Any idea? Is this even possible to do?
Thank you in advance,
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