Hi Yi,
> Is there anyone knows if Amber developers have any plan to support
> "gbsa=1" option in pmemd/pmemd.cuda in the near future. We are running
> simulation by pmemd.cuda, and want to have "SA" component included in
> energy terms...
Not yet, but it could be added fairly easily I think. Just a case of finding
time to do it. I will take a look in my free time(tm) and see how easy this
might be to add.
All the best
Ross
/\
\/
|\oss Walker
---------------------------------------------------------
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Adjunct Assistant Professor |
| Dept. of Chemistry and Biochemistry |
| University of California San Diego |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
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Received on Thu Aug 12 2010 - 17:00:03 PDT
