[gmx-users] Re: gmx-users digest, Vol 1 #958 - 14 msgs

[Regina R. Monaco, Ph.D.]

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?

--best,
Regina


> 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
>
>