> taup = 2.0,scee = 1.0,scnb = 1.0,
Besides the fact that this has been removed from AMBER 11 - which force
field are you using for your simulations here? I assume you were using these
settings with earlier versions of AMBER where the scee and scnb scaling
would have been applied. Note ONLY the GLYCAM force field should use
non-default values.
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 Thu Oct 13 2011 - 13:00:08 PDT
