[gmx-users] grompp warnings "Overriding atomtype ..."
leandro.obt at gmail.com
Sun Sep 23 04:04:10 CEST 2012
I am trying to do a glycoprotein simulation with GROMACS using the
AMBER99SB-ILDN forcefield together with GLYCAM06.
After constructing my glycoprotein grompp gives the following warning
for most of the atomtypes defined in the .itp file with the glycoprotein
WARNING 23 [file glycoprot.itp, line 27]:
Overriding atomtype CC
Is this supposed to be this way?
Because there are new definitions of atomtypes which are not used in
the carbohydrate nor in the glycosylated residue, I suppose that these
parameters are really meant to override the default ones since they are
only necessary for water and ions. Am I right?
thank you in advance,
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