... more than 15 minutes (and counting ...) while it is instataneous without the merge option.
(my computer is a dual ahtlon 3800+, not that slow ...).As i understand, tt should merge the chain A and chain B into one chain (i may be wrong), so the molecule file in the top should contain only:
Protein 1 Not: Protein_A 1 Protein_B 1 In the end i get: pdb2gmx1.log 1HPV_posre_B.itp 1HPV_posre_A.itp 1HPV_gro.top 1HPV_gro.pdb 1HPV_gro_B.itp 1HPV_gro_A.itp Using gromacs 3.3.1. (attached the input pdb file for comparison).This is not *very* important, but since the merge option is here, i was trying to understand what is wrong.
I've some specific questions on related topics, etc, i presume it would be better on bugzilla?
Cheers, Stéphane (same message as already sent but with a compressed pdb). -- Stéphane Téletchéa, PhD. http://www.steletch.org Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig INRA, Domaine de Vilvert Tél : (33) 134 652 891 78352 Jouy-en-Josas cedex, France Fax : (33) 134 652 901
1HPV.pdb.gz
Description: GNU Zip compressed data
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