Atila Petrosian wrote:
Dear Justin
thanks for your attention
I deleted posre.itp file which pdb2gmx was created (containing all
solute).I made a posre.itp (containing only protein) by genrestr.
now if I use define = -DPOSRES, gromacs use from my posre.itp. is it true?
Assuming you have constructed your topology correctly, yes. Note the advice
Mark has just sent, as well.
-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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