Re: Combining parameter files from CHARMM

From: Branko (
Date: Fri Jun 05 2015 - 05:17:56 CDT


You not need to have single parameter file for NAMD simulation, just
specify parameters in namd configuration file, for example:

parameters par_all36_carb.prm
parameters par_all36_cgenff.prm
parameters par_all36_lipid.prm
parameters par_all36_na.prm
parameters par_all36_prot.prm
parameters toppar_water_ions_namd.str - pay attention on
this line. CHARMM36 water and ions parameters for NAMD

Alternatively you can use inp merge, built-in in VegaZZ


On 6/5/2015 11:51 AM, Kevin C Chan wrote:
> Dear Users,
> I guess there will be a quick answer. I am wondering how people
> usually combine parameter files directly downloaded from CHARMM
> website to have the par_all36_XXX.inp? For instance, we want to
> combine all the parameter files from CHARMM36 to become one single inp
> to be read for my NAMD simulation.
> Thanks in advance,
> Kevin
> City University of Hong Kong

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