[AMBER] protein folding

From: <h_sahakyan.mb.sci.am>
Date: Thu, 05 Nov 2020 16:20:43 +0000

Dear Colleagues,

        Could you please recommend a force field for protein folding simulations? I found a99sb-disp which is designed for both ordered and disordered proteins, a crucial component in the water model. The recent ff19SB, also uses 4 point water moded is it a good idea to use this kind of force fields for protein folding simulation?

        What else, except the force field, should be considered, maybe some simulation parameters? Any recommendation is highly appreciated?

        Thank you in advance,
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Received on Thu Nov 05 2020 - 08:30:02 PST
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