Hi Stefane, On Jan 10, 2008 3:03 PM, ABEL Stephane 175950 <[EMAIL PROTECTED]> 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 -- 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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