From: Ramya Gamini (ramyabhargavi_at_gmail.com)
Date: Fri Apr 05 2013 - 00:25:56 CDT
Hi Sridhar,
"The text input file for fixed atoms is not found!"
The fixed atom file here should be a "text file" of indices/ indexes for
the atoms you want fixed and *not a PDB file*
best,
Ramya
TCBG, UIUC
On Thu, Apr 4, 2013 at 9:33 PM, Sridhar Kumar Kannam <srisriphy_at_gmail.com>wrote:
> Dear NAMD users,
>
> I am using memory optimized NAMD version as my system has several million
> atoms.
> I followed the instruction on this page -
> http://www.ks.uiuc.edu/Research/namd/wiki/?NamdMemoryReduction
> and did everything fine.
>
> With the compressed psf file and, binary coordinate file the simulations
> are running fine.
>
> But when I include a fixedatoms.pdb file in the configuration file I am
> getting the error - FATAL ERROR: The text input file for fixed atoms is
> not found!
> But the fixed atoms file is there in the directory.
>
> When we use memory optimized version, is anything should be changed
> regarding the fixedatoms file ?
>
> Thanks for any suggestion ....
>
> --
> Cheers !!!
> Sridhar Kumar Kannam :)
>
>
>
>
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