xi zhao wrote: > Easily, I have a pdb complex(pdb: 1O5P), I want to produce corresponding > gro top files, but I can only produce chromophore gro and top file using > amb2gmx.pl .Are you clear ?
No. If you have a structure file already, then you need to read what I wrote earlier. If you don't have a structure file already, then you need to read what I wrote earlier. If you have some problem getting an existing AMBER structure+prmtop to convert properly, then you haven't communicated that. If you haven't got an AMBER structure+prmtop, then give up on amb2gmx.pl Try explaining your problem in English to a friend who doesn't fully understand the science. Then apply the lessons you learned there to describing the problem here :-) Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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