Hey all. I'm trying to visualize a *.gro file w/VMD and am having no luck. VMD developer says:
Hi, Here's the only .gro file format spec I can find presently: http://www.gromacs.org/documentation/reference/online/gro.html My understanding of that specification is that while the last 6 of the 9 box vectors may be omitted, the first three may not. If I understand correclty, this means that files that are completely missing the box vectors are illegally formatted. Perhaps a Gromacs developer or expert could comment on this? John Stone [EMAIL PROTECTED] . . . I cut and paste three floating box vectors into *,gro file and get nothing. What am I missing?? Is there a specific method to generating box vectos? e.g. file: PRODRG COORDS 22 1AHL CAS 1 -0.052 -0.933 -0.149 1AHL CAR 2 -0.108 -0.803 -0.090 ......................................................................... 1AHL C 21 0.131 0.790 0.181 1AHL O 22 0.218 0.798 0.272 5.90620 6.84510 3.05170 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
