Thanks very much for the information. I earlier tried tleap < ipfile, and
it cribbed saying something that I vaguely remember as rdirection was not
enabled or some silimar thing. Today again with some suspicion I rechecked
and found that there is a '-f' option. Apologies for everyone...
-Sanjeev
On Mon, 6 May 2002, Andreas Svrcek-Seiler wrote:
Hi,
> Hello,
> I would like to automate generation of topology file for a large
> number of PDBs.
...
Provided your pdbs are 'clean', the easiest way to do this
that comes to my mind is using NAB:
the following NAB 'program' reads in a pdb file
and writes out a prmtop file ( named 'prmtop'):
Received on Mon May 06 2002 - 05:24:30 PDT
