Re: Martini CG models parameters errors

From: Vermaas, Joshua (
Date: Thu Sep 22 2016 - 10:36:40 CDT

Below is the offending line. OC is an atomtype in toppar_water_ions, but
only as an NBFIX term. The file doesn't provide VDW information for that
atomtype though (normally I think the protein or lipid file handles
that), and so you get the error. If you are using martini, why would you
need TIP3 water parameters anyway? Just comment out the line, as I
suspect the martini parameter file will give you the parameters you need
for the coarse grained water I hope you are using.


On 09/22/2016 09:14 AM, Mahad Gatti wrote:
> parameters ../toppar_water_ions_namd.str

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