From: Kevin C Chan (cchan2242-c_at_my.cityu.edu.hk)
Date: Mon Jun 15 2015 - 03:08:06 CDT
Thanks Branko. It works perfectly fine until I met the stream files, e.g.
toppar_water_ions.str. I looked back the thread and found you have already
given hints on it. So how did you get that toppar_water_ions_namd.str? By
deleting those CHARMM languages one by one?
Thanks,
Kevin
On Fri, Jun 5, 2015 at 6:17 PM, Branko <bdrakuli_at_chem.bg.ac.rs> wrote:
> Kevin,
>
> 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 (
> http://nova.disfarm.unimi.it/cms/index.php?Software_projects:VEGA_ZZ)
>
> Branko
>
>
> 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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