Nilesh Dhumal wrote:
Hello,
How can I add chlorin atom as a acceptor in g_hbond.
Either modify the source code (the search_acceptors routine in gmx_hbond.c) or
make a dummy structure/topology that lists the Cl atoms as O. The program
searches for acceptors by atom name only (O and/or N if using -nitacc), so you
can probably trick it into thinking that's what they are.
-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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