[gmx-users] Synthesis of Polyethylene SUrface Topology

Yash Gandhi ydgandhi at gmail.com
Fri Oct 1 12:44:57 CEST 2010

I am a new user of GROMACS and I wish to Generate a Polyethylene Surface for
my work related to hydrophobic Surface Properties. I went through an earlier
available correspondence<http://lists.gromacs.org/pipermail/gmx-users/2009-March/040125.html>and
tried to use the info available. After execution of pdb2gmx command
opting for OPLS force field, I got an error as:
Fatal error:
Atom C1 in residue EtOH 1 not found in rtp entry with 9 atoms
             while sorting atoms
I am unable to understand the relevance of this error as in Polyethylene,
Alcoholic group is not present whatsoever. Please help me in removing this
particular error.

Yash Gandhi,
4th Year, BE (Hons) Chemical,
Birla Institute of Technology & Science, Pilani, India
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