[gmx-users] 2 questions: pdb2gmx and genbox
Tsjerk Wassenaar
tsjerkw at gmail.com
Thu Jan 11 09:31:55 CET 2007
Hi William,
It may be a good idea to follow the tutorial at:
http://nmr.chem.uu.nl/~tsjerk/MDCourse/
It doesn't take too much time and will give you a fair idea of using
the program, with the options, the file types, etc.
> If you look at the top of the output from pdb2gmx you will see the flags
> and values you actually passed on the command line reported back to you,
> together with any default values that you didn't override. "eiwit.pdb"
> is such a value, although I've no idea why a default structure file
> should be named that.
And Mark, maybe a Dutch course could be of benefit. Eiwit is the Dutch
word for protein ;)
(O, and you're welcome to apply for a post-doc position to allow you
to learn some more Dutch).
Cheers,
Tsjerk
--
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
More information about the gromacs.org_gmx-users
mailing list