[gmx-users] Re: gmx-users digest, Vol 1 #958 - 14 msgs
Regina R. Monaco, Ph.D.
rocket at earthlight.com
Wed Sep 3 06:36:02 CEST 2003
Thanks for the replies I've received!
Do any users have the .rtp information for B-DNA nucleotides for the
OPLS forcefield? I see some of the other forcefields (ffG43xx.rtp,
ffgmx.rtp) include nucleotides in those forcefields - anybody have good
results with them?
> Message: 1
> Date: Tue, 2 Sep 2003 15:11:08 +0400
> From: Andrey V Golovin <golovin at genebee.msu.su>
> Organization: MSU
> To: "Regina R. Monaco, Ph.D." <gmx-users at gromacs.org>
> Subject: Re: [gmx-users] DNA Modelling
> Hello Regina
> As I know _standart_ force fields in gromacs are not usable for nucleic
> acids. Only OPLS force filed gives reasonable results. BUT there are
> no DNA/RNA resides in ffopls*.rtp so you will need to create this rtp
> by hands.
> Best regards,
> Andrey mailto:golovin at genebee.msu.su
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