Re: [gmx-users] topolbuild cannot open logfile

2010-09-29 Thread andrew_m_norris
Thanks very much for your reply yes i was just being daft and trying to run things from the wrong place therefore wrong permissions! Also i was pointing to the wrong directory for force fields. Things are working now. Thank you once again Andrew --- On Wed, 29/9/10, Bruce D. Ray wrote: From: B

[gmx-users] topolbuild cannot open logfile

2010-09-28 Thread andrew_m_norris
Hello i am very new to molecular mechanics so please excuse me if my questions are a little naive or stupid.I am trying to minimise a mol2 file with topolbuild1_3 using the following command line arguments from within the topolbuild directory:  ./topolbuild  -dir /usr/local/gromacs/share/gromacs