Re: [AMBER] If I use source leaprc.gaff command for DNA and protein is it load gaff forcefield or ff14SB force field??

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 1 Aug 2017 08:13:12 -0400

On Tue, Aug 1, 2017 at 6:54 AM, Saikat Pal <saikatpaliitg.yahoo.com> wrote:
>
> Now my question is If I use source leaprc.gaff command for DNA and protein is it load gaff forcefield or ff14SB force field??
> I want to take ff14SB force field for DNA and Protein ,AND gaff force field for ionic liquid.please suggest me my steps are correct or not . Please help me out.

To load the FF14SB force field for proteins you need to source
leaprc.protein.ff14SB. To load proteins for DNA you need to source
either leaprc.DNA.bsc1 or leaprc.DNA.OL15. See the manual for details.

-Dan

> Thanks and regards,
> Saikat
>
>
>
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-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Tue Aug 01 2017 - 05:30:03 PDT