Payman Pirzadeh wrote:
I was wondering if the order of sites in .gro file should be the same as
in .itp file.
Yes, otherwise, you will see grompp warnings indicating that atom names in the
.top and .gro do not match.
-Justin
Payman
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--
========================================
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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