AMBER Archive (2004)

Subject: Re: AMBER: trajectory file

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Mar 23 2004 - 16:20:31 CST

> > STREAM s1 1000/minhm_1000_51.pdb 1000/minhm_1000_1.pdb;
> Using default parm (1spshm.top) for STREAM s1
> stream: opening 1000/minhm_1000_1.pdb
> Error: 1000/minhm_1000_1.pdb: full pdb format not supported
> Only ATOM records in amber order allowed
>
> The PDB were obtaine from restart files using ambpdb.

I suspect they may have TER cards. 'egrep ATOM x.pdb > x1.pdb'
will pull out the ATOM records.

> I wonder if instead of using PDB files, I can use the restart files.
 
Good idea - this is even simpler and faster.

Bill
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