[gmx-users] lack of opls parameter of amino group
Mark.Abraham at anu.edu.au
Tue Dec 18 14:22:29 CET 2007
zhuliang at tju.edu.cn wrote:
> Hi, how are you!I want to perform a molecular dynamics simulation of a
> aminoglycoside antibotic under force field of opls. However, I can't get the opls
> parameter about amino group attached to the pyranose ring. I hope someone will
> give me a hand and Thank you in advance!
Your best bet is to check out
http://wiki.gromacs.org/index.php/Parameterization and be prepared to
work hard. You should general GROMACS experience before attempting to do
modify things to treat this system.
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