
Hi all, Could someone point in the direction of some good documentation on ff99SB, how it functions, and what calculations it performs? Thank you, Nikolay Rodionov

Hi Nikolay, Try the Amber web site and/or manuals. Google and Pubmed may also be useful. <http://ambermd.org/> There is some information in the Add Charge manual page of the Chimera User's Guide, <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/addcharge/addcharge...> ... but be aware that minimization in Chimera always uses ff99 for all parameters other than the charges, as mentioned here: <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/minimize/minimize.h...> ... because that is what the MMTK package used by Chimera provides. Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On May 12, 2012, at 4:08 PM, Nikolay Igorovich Rodionov wrote:
Hi all, Could someone point in the direction of some good documentation on ff99SB, how it functions, and what calculations it performs? Thank you, Nikolay Rodionov
participants (2)
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Elaine Meng
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Nikolay Igorovich Rodionov