Dear Justin, Thanks for your reply. Now, I have problem in generationg the coordination file. Since my molecule is diatomic, the PRODRG server fails and when I used another parametrization tool, the output files were void. Can I generate the file in gromacs? Is there any way to do it?
Regards, Sarah Keshavarz > sarah k wrote: >> dear users, >> >> I want to use Nitrogen as my solvent. How can I prepare the box and >> compile the *.gro file? Please, guide me in detail. Thanks in advance! >> > > Make a coordinate file for a single N2 molecule (should be really easy) and > use > either genconf -nbox or genbox -ci -nmol to create the solvent box, then > equilibrate. > > -Justin -- 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
