AMBER Archive (2009)

Subject: [AMBER] only ff94 and ff99 for GBSA?

From: Andrew Voronkov (drugdesign_at_yandex.ru)
Date: Wed Jun 03 2009 - 05:28:15 CDT

Dear amber users,
as far as the amber03 force field was parametrized with usage of electrostatic continuum models then it must be used with some correction parameters or not to be used at all with implicit solvent, right? I want to use amber03 with GBSA (igb=2 or 5 or 7) method and set up dielectric constant to 4 for the protein as was used in amber03 parametrization. Is it enough for usage of ff03 or it is better to use ff99 or ff94 with GBSA?

Best regards,
Andrew

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