[gmx-users] Problem with decane box

Ragnarok sdf fabracht1 at gmail.com
Fri Feb 13 03:13:21 CET 2009


I am trying to set up a system with a helix in a decane box. I am
using dec50.gro and decane.itp files to build the box. I've used
GROMOS96 53a6 forcefield and when I run grompp the following error
comes out.

ERROR 0 [file "vegfr2.top", line 37]:
  atom C10 (Res C10-107) has mass 0


-------------------------------------------------------
Program grompp, VERSION 3.3.3
Source code file: grompp.c, line: 1205

Fatal error:
There were 764 errors in input file(s)
-------------------------------------------------------
I would appreciate some help on the matter.
Thank you in advance
Fabrício Bracht



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