[gmx-users] Re: choosing force field

pratibha kapoorpratibha7 at gmail.com
Thu Nov 7 18:14:14 CET 2013


My protein contains metal ions which are parameterized only in gromos force
field. Since I am a newbie to MD simulations, it would be difficult for me
to parameterize those myself.
Can you please guide me as per my previous mail  which out of the two
simulations should I consider  more reliable-43a1 or 53a7?  
Thanks in advance.

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