sharada at ccmb.res.in
Thu Oct 1 13:00:14 CEST 2009
You need to specify the input file with -f flag and -i is for the itp file which is the output and that is any way created by default. Just remove -i from the command and it will work.
-- Original Message --
From: Asmaa Elsheshiny <pyaaea at leeds.ac.uk>
To: "gmx-users at gromacs.org" <gmx-users at gromacs.org>
Date: Thu, 1 Oct 2009 11:36:43 +0100
Subject: [gmx-users] pdb2gmx
I tried to use the following command line
pdb2gmx -f -i brady.pdb -o brady.gro -p brady.top -ignh
But I get the following error massage
File input/output error:
So I tried to modify aminoacides.dat to include all the required aminoacids residues but , I failed because these files are readonly .
So, How can I fix this problem.
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