As far as I know, the following webserver can be used to find the CHARMM force field for small molecules for use in GROMACS
http://www.swissparam.ch/
I am wondering if there is any standalone tools (to run on my computer) that do same as this webserver? I need .itp files with CHARMM force field to use in GROMACS.
Try if this helps
http://www.charmm-gui.org/?doc=input/ligandrm
Thanks for your reply. I need a standalone tool to run it on my computer. I don't want to use webservers. Do you know anyone?
If you would like to request a license to obtain the CGenFF binary (which underlies the ParamChem server), contact Prof. Alex MacKerell. The stream files produced by CGenFF can easily be converted to GROMACS format with the Python converter we make available on our website:
http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs
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