AMBER Archive (2003)

Subject: Re: ambpdb

From: Venkata S Koppuravuri (kvsuneel_at_linus.bmb.wright.edu)
Date: Fri Apr 18 2003 - 11:14:34 CDT

HI,
i think you can use ptraj to convert restrt file to pdb file.

commands to use would be

--------------------
ptraj prmtop
trajin restrtfile
trajout pdbfilename pdb
go
---------------------

hope this helps
-Venkat

On Tue, 15 Apr 2003, Youyi Peng wrote:

> Hi, Dear AMBER users:
> I want to convert restrt file to pdb file. After I typed the command, I
> got the following error message. I checked the prmtop and restrt files.
> Both are normal files. Could you tell me what is wrong and how to avoid
> it? Thanks.
>
> $ ambpdb -p dor1.prmtop
> | New format PARM file being parsed.
> | Version = 1.000 Date = 04/14/03 Time = 21:34:45
> dor1md2.restrt
> md2.pdb
> fmt: read unexpected character
> apparent state: internal I/O
> last format: (i6)
> lately reading sequential formatted internal IO
> Aborted
>
> Youyi Peng
>
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