Hi Qizhi,
> I tried to run pmemd.cuda at MD heating step where I have two residues
> groups to be restrained as following:
>
> Hold the solute fixed
> 20.0
> RES 1 848
> RES 937 939
> END
> END
In addition to posting your input files as Scott suggests can you also
verify that you have applied all the latest bugfixes? In particular bugfixes
3 to 5.
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 Tue Aug 10 2010 - 11:00:04 PDT
