[gmx-users] forcefield for free (neutral) amino acids
manchunhong at yahoo.com
Mon Apr 27 17:37:29 CEST 2009
I am not a user of GROMACS, but I hope someone who's working on protein dynamics can do me a favor here. I am desperately searching for a forcefield for free and neutral amino acids. But it seems that the forcefields such as amber and opls only parametrizes amino acids in peptides (without OH and H) and terminal amino acids on peptides. I know there has to be some forcefield already developed for popular molecules like amino acids, anyone please point me the way! Thanks a million!
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