[gmx-users] Problem running do_dssp

2007-01-30 Thread Afonso Duarte
Dear All, I am running Gromacs 3.3.1 and I have recently installed dssp to run the do_dssp command. I have set the path correctly and the dssp seems to work ok by it self, however when i run do_dssp I get the following message: There are 25 residues in your selected group Opening library file

[gmx-users] Problem running do_dssp

2013-08-12 Thread Dipankar Roy
Hi, I am trying to use do_dssp to generate a secondary structure map over time for a 10-ns simulation. I have installed dssp_2.2.0 at the usual /usr/local/bin I tried running it with the following command line do_dssp -f md.xtc -s md.tpr -o ss.xpm -sc ss.xvg -dt 100 -tu ps; but ended up with the

Re: [gmx-users] Problem running do_dssp

2013-08-12 Thread Justin Lemkul
On 8/12/13 4:29 PM, Dipankar Roy wrote: Hi, I am trying to use do_dssp to generate a secondary structure map over time for a 10-ns simulation. I have installed dssp_2.2.0 at the usual /usr/local/bin I tried running it with the following command line do_dssp -f md.xtc -s md.tpr -o ss.xpm -sc ss