From: Sridhar Kumar Kannam (srisriphy_at_gmail.com)
Date: Fri Apr 05 2013 - 01:24:44 CDT
Thank you so much Ramya,
It worked. Also, the line "fixedAtomsFile abc.pdb" should be changed to
"fixedAtomListFile abc.txt".
Have a nice day :)
On Fri, Apr 5, 2013 at 4:25 PM, Ramya Gamini <ramyabhargavi_at_gmail.com>wrote:
> 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 :)
>>
>>
>>
>>
>
-- Cheers !!! Sridhar Kumar Kannam :)
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