[EMAIL PROTECTED] wrote:
Hi all:
How are you! I want to simulate the solution structure of a amino sugar
gromacs, but I have no force field parameter about it. I have tried to obtain
its
forcefile parameter through prodrg and antechamber, and try my best to refine
it.
however, both calculated results with these forcefield parameter were
unsatisfied.
I hope someone can give me a hand if you have experience with generating ff
parameter or you have interests. Thank you in advance!
Check out http://wiki.gromacs.org/index.php/Parameterization
Parameter development is not a recommended way for someone to begin
their GROMACS and/or MD experience.
Mark
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