nahren manuel wrote:
Dear Gromacs Users,
Has anybody merged all chains in a PDB file using -chainsep. because
-chainsep does not
seem to work.
http://www.mail-archive.com/gmx-users@gromacs.org/msg33192.html
Is there a alternate way of doing it ?,
One way I could think of is to add the atoms numbers in the topologies.
would appreciate better ideas..
If pdb2gmx -merge suits your needs then just generate the topology with an
earlier version.
-Justin
Best,
nahren
--
========================================
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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