BIN ZHANG wrote:
Dear Justin:
Thanks a lot for your reply.
I indeed have missing residues in the second chain. However, when I try
pdb2gmx -renum, it renumbers the second chain starting from 1, rather
than starting from 817(Nres_1st+1).
To get consecutive numbering, you may have to merge the chains. You can do this
with pdb2gmx -chainsep.
-Justin
Thanks,
Bin
=====================================
816VAL HG1313296 -3.347 0.716 6.099
816VAL CG213297 -3.088 0.611 6.105
816VAL HG2113298 -3.036 0.707 6.088
816VAL HG2213299 -3.131 0.613 6.208
816VAL HG2313300 -3.013 0.530 6.100
816VAL C13301 -3.375 0.483 6.144
816VAL OT113302 -3.466 0.460 6.111
816VAL OT213303 -3.326 0.517 6.224
1ALA N13304 -2.528 1.672 1.358
1ALA H113305 -2.582 1.754 1.340
1ALA H213306 -2.430 1.694 1.354
1ALA H313307 -2.550 1.635 1.448
1ALA CA13308 -2.558 1.573 1.259
--
========================================
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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