Re: [gmx-users] suggest small revision to genbox

2007-05-12 Thread David van der Spoel
David Mobley wrote: All, I'm trying to write some wrappers to set up a project using standard gromacs tools. Anyway, it looks to me like genbox is not handling its path names correctly. In particular, here's what I did: - Make temporary directory in which to run genbox - Move to temporary direc

Re: [gmx-users] suggest small revision to genbox

2007-05-11 Thread bharat v. adkar
genbox works fine for me. i use 3.3.1 version. it works fine with and without script. but i don't understand how will u get rid of backup files in the permanent directory from whatever u have mentioned, because gromacs creates the output topology in the same location where it reads the input

[gmx-users] suggest small revision to genbox

2007-05-11 Thread David Mobley
All, I'm trying to write some wrappers to set up a project using standard gromacs tools. Anyway, it looks to me like genbox is not handling its path names correctly. In particular, here's what I did: - Make temporary directory in which to run genbox - Move to temporary directory, run genbox (rea