Please do not include the entire digest in your post. The archive becomes
hopelessly confusing when this happens...
arun kumar wrote:
hi justin,
as u said i understand that there is inconsistency in the charges and
charge groups of PRODRG server itself.
can u suggest me any other softwares that i can rely on for this work.
Yes, ATB is one option, or you can modify the PRODRG topology after doing your
own charge calculations, as described in
http://pubs.acs.org/doi/abs/10.1021/ci100335w.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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