AMBER Archive (2009)

Subject: RE: [AMBER] force fields

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Apr 08 2009 - 19:36:05 CDT

Hi Mark,

>when I load
>leaprc.ff03
>and then later load
>leaprc.gaff

>the ff03 stays loaded, and both can work together. Am I correct about that?

Yes you are correct. Also note that the GAFF parameters all have lower case
atom types while the protein and DNA force fields use upper case. This was
deliberate to allow them to work together. You can also mix FF99SB with GAFF
for example. (but FF99SB with FF03 would not work...)

All the best
Ross

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|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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