> I am trying to use ptraj to analyse hydrogen bonds. but
To provide more input about your atom selections, set
prnlev 3
> acceptor T N3 H3
...before the donor/acceptor commands...
> PTRAJ:
> {\rtf1\ansi\ansicpg1252\deff0\deflang1033{\fonttbl{\f0\fswiss{\*\generator
> Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\f0WARNING in ptraj(): No input
> trajectories specified (trajin), aborting...
I do not understand all that extra font information (probably from your
e-mail program), but basically ptraj cannot find the trajectories in your
current directory.
> I have checked that the input file DNA_melt.mdcrd is in the $AMBERHOME
> directory.
The file should be in your current directory, not in $AMBERHOME, unless of
course you are running ptraj from $AMBERHOME.
Good luck,
tec3.utah.edu
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Received on Wed Sep 13 2006 - 06:07:20 PDT
