Hi, I have run a 20ns MD simulation on my protein structure and about to proceed with Autodock. I am wondering if I have missed anything. The output of the file is gro, so I converted it to a pdb file. Then, when I process it with Autodock Tools, all I get is the water molecules surrounding my protein in a box. How can I get rid of the box?
Please advice. Thanking you in advance. Best regards -- View this message in context: http://gromacs.5086.x6.nabble.com/proceed-from-output-of-MD-tp5008364.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
