Thanks Mark and Marzinek, The Problem is solved:
g_hbond -f traj.xtc -s run.tpr -num AB.xvg -n AB.ndx > chain A Found 1234 atoms with chain identifier A 19 chA : 1234 atoms > name 19 chainA > chain B Found 1234 atoms with chain identifier B 20 chB : 1234 atoms > name 20 chainB > q 2012/1/10 Marzinek, Jan <j.marzine...@imperial.ac.uk> > So as you can see Gromacs does not support multi file input :) Create > one index file and specify there your two groups. Then g_hbond will ask you > to choose two groups from this file. > > > > Jan > > > > =========================================================== > Jan Marzinek > PhD Candidate > Centre for Process Systems Engineering > Department of Chemical Engineering > Imperial College London > South Kensington Campus > London SW7 2AZ > E: j.marzine...@imperial.ac.uk > M: +44(0)7411 640 552 > ------------------------------ > *From:* gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on > behalf of ahmet yıldırım [ahmedo...@gmail.com] > *Sent:* Tuesday, January 10, 2012 8:13 AM > *To:* Discussion list for GROMACS users > *Subject:* [gmx-users] multi file input for index files > > Dear users, > > I created two different index files (A.ndx and B.ndx). I want to run the > two files at the same time. > e.g. > g_hbond -f traj.xtc -s run.tpr -num A-B.xvg -n A.ndx -n B.ndx > where, I want to calculate the hydrogen bonds between A and B. > This command is giving the error as it expected. "Gromacs tools do not > support multi file input for index files" from > http://sbcb.bioch.ox.ac.uk/users/oliver/software/GromacsWrapper/html/gromacs/core/tools.html. > Is this correct? If no, what should I do? > > Thanks in advance > -- > Ahmet Yıldırım > > > -- > 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 > -- Ahmet Yıldırım
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