[gmx-users] FATAL ERROR
Amol D. Atre
ssb4 at udct.org
Fri Sep 23 08:30:17 CEST 2005
While running pdb2gmx for cpeptide.pdb included in tutor/gmxdenmo folder I
FATAL ERROR: One of the box vectors is shorter than twice the cut-off
length. Increase the box size or decrease rlist.
Can anybody throw some light on this?
OS: Linux Fedora Core
Command line: pdb2gmx -f cpeptide.pdb -o conf.gro -p topol.top -i posre.itp
Thanking in advance.
Amol D. Atre.
Chemical Engineering Department,
Mumbai University Institute of Chemical Technology,
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