[gmx-users] converting amber parameter to OPLS
zhngbn at gmail.com
Wed Jun 9 18:36:43 CEST 2010
I'm considering to convert the ATP/ADP parameters from amber (http://www.pharmacy.manchester.ac.uk/bryce/amber
) into OPLS format. My question is, have you guys done similar things?
If so, can you give me some information on what kind of thing I should
be aware of? Like the scaling factor (fudgeQQ) in OPLS and so on?
Thank you very much,
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