[gmx-users] About the biotin parameter.....

[rama david]

Hi Gromacs Friends,

                    I want to do the simulation of system containing the
biotin.
I know that the charge calculated by prodrg is not good.
I want to use the GROMOS96 53a6 force field  or OPLS force field.
( 1st choice is GROMOS second choice is OPLS)

Please would you tell me how to get topologies for biotin with correct
charge.

Thank you

With Best wishes and regards,
RAma david