.TH "xplor2gmx" "1" "13 Oct 2008" "GROMACS suite, Version 4.0"
.SH NAME
xplor2gmx \- Convert XPLOR distance restraints to Gromacs format
.SH SYNOPSIS
\f3xplor2gmx\fP
.BI "(residue offset)" ""
.BI " input.pdb " ""
.SH DESCRIPTION
.B xplor2gmx
reads an XPLOR input file with distance restraint data
as sometimes is found in the pdb database (http://www.pdb.org).
From this input file dihedral restrints should be removed, such that
only distance restraints are left. The script can handle ambiguous restraints.
It converts the distance restraints to GROMACS format.

A restraints file (.dat) should be provided on STDIN, and a suitable
output file (.itp) is sent to STDOUT.

.SH EXAMPLES
xplor2gmx.pl 33 conf.pdb < restraints.dat > disre.itp

.SH OPTIONS
.B xplor2gmx
requires two command line options: first, the residue offset (integer);
second, the .pdb filename.  The pdb file must have correct atom numbers.
.SH SEE ALSO
.BR gromacs (7)