Owen, Michael wrote:
Fellow gmx users,
I made a tolopgy file for TFE in water by "hand" for the OPLSAA/L force
field to be used in a simulation containing a mixed solvent. I made a
similar TFE.itp file and included it in the mixed solvent topology
file. when I ran grompp before equilibrating the system I received an
error message that read:
-------------------------------------------------------
Program grompp, VERSION 3.3.1
Source code file: grompp.c, line: 448
Fatal error:
number of coordinates in coordinate file (tfe.gro, 9)
does not match topology (tfe_mike.top, 0)
-------------------------------------------------------
Do you know why my topology file contains zero coordinates? My topology
file is pasted below:
Topology looks fine, but grompp =will give you more info when you run
it with -v. Please read carefully what it saya
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
