[gmx-users] Re: Problem with Amber99SB-ILDN ff

Melchor S. msmqbm at cid.csic.es
Tue Jul 9 23:34:26 CEST 2013

Sorry for the misunderstanding. I should had explained it better.

I know that is a zwitterionic residue, I have run several simulations with
the same PDB and with other forcefields. ACPYPE does not work, I tried it
yesterday, but I have to check it. Antechamber I don't know, I have to try

Also I will try to find other related parameters, but I was searching
without succes. Could you suggest me something?

Thanks for all your answers

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