On Wed, 15 Mar 2006, Prasad Gajula wrote: > Dear Gromacs Users, > > When I use the genbox after editconf , most of the protein is out of water. > Even with 'trjconv' after the simulations I cant see any change, as > suggested by other gromacs users. > Pls some one give me an idea... > > thank you very much! > best regards > Gajula >
Hi Gaiula, when you generated your box did you use the option -center in editconf? maybe an input box problem if this, you have to use -center XYZ, where XYZ are half of the box size... good luck! Adriana > _______________________________________________ > gmx-users mailing list [email protected] > 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 > -- _____________________________________________ Adriana Pietropaolo, PhD student, dipartimento di Chimica Fisica ed Inorganica, Facolta' di Chimica Industriale Universita' di Bologna WEB:www2.fci.unibo.it/~adriana Tel 051/6446992 FAX 051/2093690 _____________________________________________ _______________________________________________ gmx-users mailing list [email protected] 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
