[gmx-users] Pdb for urea crystal
merc.mertens at gmx.net
Wed Nov 1 10:57:51 CET 2006
your gro contains 8 urea molecules and your top only one. you should change the line " UREA 1" in your "[ molecules ]"-section to " UREA 8".
-------- Original-Nachricht --------
Datum: Wed, 1 Nov 2006 17:46:59 +0800
Von: "Sivashangari Gnanasambandam" <g0501135 at nus.edu.sg>
An: gmx-users at gromacs.org
Betreff: [gmx-users] Pdb for urea crystal
> <<one.gro>> <<one.pdb>> <<one.top>>
> I am very new to the GROMACS and I couldn't able to proceed further from
> converting a pdb file to gro file for one month.
> I tried to create topology file using the format suggested in mailing
> list but it shows the error '' No of coordinates in gro file does not
> match with topology'. I attached my gro and top file for your reference.
> Kindly help me to come out from my problem.
> Thank you
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