Ragnarok sdf wrote:
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.
Hopefully you have modified the decane.itp that you found in the /share/top
subdirectory; it is for use with ffgmx, which no one should probably be using
anyway.
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)
-------------------------------------------------------
You have a crippled topology. Either the format is wrong, your #include
statements are wrong, or your [ molecules ] section is out of order...or maybe
even more possibilities. With this many errors, it is hard to diagnose without
actually seeing the topology.
-Justin
I would appreciate some help on the matter.
Thank you in advance
FabrÃcio Bracht
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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