jorge_quint...@ciencias.uis.edu.co wrote:
Dear all.
I've tried to calculate solvatin free energy using amber force field and
gromacs but unfourtunately I can't include the parameters for B type. Can
somebody help me with that, I send you a top file.
All of your B-state parameters are commented out. Remove the semicolons.
-Justin
Best regards,
Jorge R. Quintero
Grupo de Investigación en Fisicoquímica Teórica y Experimental (GIFTEX)
Universidad Industrial de Santander
Escuela de Química
Bucaramanga, Santander - Colombia
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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