Dear all Previously I (and others) have posted with issues regarding the conversion of gromacs trajectories (nm) to amber format (Angstrom). You can get g87 files form trjconv which are the same format as amber but in the wrong units.
It turns out there is a simple way to do these conversions - use catDCD http://www.ks.uiuc.edu/Development/MDTools/catdcd/ also now integrated into VMD. The amber formats are crd crdbox (without and with box, respectively) Thanks to John Stone at VMD for this. Daniel -- Dr Daniel John Rigden Tel:(+44) 151 795 4467 School of Biological Sciences FAX:(+44) 151 795 4406 Room 101, Biosciences Building University of Liverpool Crown St., Liverpool L69 7ZB, U.K. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
