ZHAO Lina wrote:
ATOM 397 N ALA 48 35.480 52.940 57.920 1.00 0.00 ATOM 398 H ALA 48 34.740 52.570 57.360 1.00 0.00 ATOM 399 CA ALA 48 36.190 54.120 57.430 1.00 0.00 ATOM 400 CB ALA 48 35.900 55.320 58.350 1.00 0.00 ATOM 401 C ALA 48 37.690 53.840 57.260 1.00 0.00 ATOM 402 O1 ALA 48 38.120 52.590 57.580 1.00 0.00 ATOM 403 O2 ALA 48 38.460 54.860 56.810 1.00 0.00 ATOM 404 N ASP 1 7.960 12.190 74.660 1.00 0.00 ATOM 405 H1 ASP 1 8.090 11.710 75.530 1.00 0.00 ATOM 406 H2 ASP 1 7.210 12.840 74.760 1.00 0.00 ATOM 407 H3 ASP 1 7.730 11.520 73.950 1.00 0.00 ATOM 408 CA ASP 1 9.190 12.900 74.290 1.00 0.00 ATOM 409 CB ASP 1 10.390 11.940 74.180 1.00 0.00 ATOM 410 CG ASP 1 10.860 11.380 75.510 1.00 0.00 ATOM 411 OD1 ASP 1 10.420 11.850 76.560 1.00 0.00 ATOM 412 OD2 ASP 1 11.880 10.480 75.450 1.00 0.00 ATOM 413 C ASP 1 9.000 13.630 72.970 1.00 0.00 ATOM 414 O ASP 1 8.580 13.010 71.990 1.00 0.00


    I'm guessing you have different chain identifiers, i.e. identical
    chains, just labeled A and B or something?


I got four chains. and the .pdb from trjconv do not distinguish those things and don't show chain info.

Do you have some nice way to view .gro in pymol. (compare VMD I am a bit familiar with pymol)


Renumber using genconf. You should be able to select consecutive residues in this way. Otherwise, use a couple quick text editor tricks to write in chain identifiers to make selection easy.

-Justin

Thanks again,

lina

--
========================================

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

========================================
--
gmx-users mailing list    gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

Reply via email to