> I second this.
>
> I believe we now have two different approaches to get SCNB/SCEE into
> prmtop using tleap. I am sure we will be able to consolidate and unify.
There is only one as far as I know. Through the passing of the entries in
the parmxx.dat and frcmod files. The original issue was tleap / xleap didn't
support it, only sleap did. But now it has been added to t/xleap.
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 |
| NVIDIA Fellow |
|
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 Fri Nov 04 2011 - 23:00:03 PDT
