[gmx-users] about ffgmxnb.itp and lipid.itp

nanyu101 nanyu101 at sina.com
Tue Nov 26 06:49:48 CET 2002


Hi,everyone,
  I have tried to use popc.pdb that the coordinates are from Tieleman's web to insert a protein,but the system told me the atom type was not found.The information was given by system below.
Warning: as of GMX v 2.0 unit of compressibility is truly 1/bar
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Generated 1125 of the 1326 non-bonded parameter combinations
Cleaning up temporary file gromppkkCDDe
Fatal error: Atomtype 'LC3' not found!

I have copied the atomtype and nonbond_param of lipid.itp to ffgmxnb.itp.But the information that system gave has nothing different from original ffgmxnb.itp.Would someone give me some resolvation?Thanks.

Bests.
Xianhui Wu

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