Hello,
anybody know if would it be possible to calculate the contacts between 2
monomers in a dimer using the ptraj command "contacts" included in Amber 9?
The syntax of this command is
contacts [first/reference] [byresidue] [out filename] [time interval]
[distance
cutoff] [mask]
What should I take as "mask"??
Thanks for your help in advance!
Rebeca García
Parc Cientific Barcelona
rebeca.mmb.pcb.ub.es
Quoting rebeca.mmb.pcb.ub.es:
> Hello,
> I have performed a molecular dynamics of a protein with NAMD/Charmm. Is it
> possible to analyze the last structure or the trayectory with the ANAL module
> of AMBER using a psf file instead a top file? I could do ptraj using psf, but
> is it possible do the same for ANAL?
>
> Thanks a lot in advance!
>
>
> Rebeca
> rebeca.mmb.pcb.ub.es
> Parc Cientific Barcelona
>
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Received on Sun Feb 25 2007 - 06:07:09 PST
