[gmx-users] use do_dssp with only pdb file with many configurations in it

Tsjerk Wassenaar tsjerkw at gmail.com
Fri Jan 11 09:03:40 CET 2008

Hi Stefane,

On Jan 10, 2008 3:03 PM, ABEL Stephane 175950 <Stephane.ABEL at cea.fr> wrote:

> Hi gromacs users
> In previous message Mark Abraham. said me that do_dssp tools can be used
> only with a pdb file (thank to him ;))). I am newbie with gromacs (i came
> from the ORAC MD world), so i have two questions
> 1 °) Can do_dssp can be used with "only" one pdb file with some
> configurations (say 40000)

Mark said that you could use do_dssp using a .pdb file as the reference
structure rather than a .tpr file. Read the help: do_dssp -h


Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
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