[gmx-users] Input vdwradii.dat file when using genbox

Kieu Thu Nguyen kieuthu2212 at gmail.com
Mon Dec 17 04:28:42 CET 2012


Thank Justin !
But i am not clear "Is it read automatically when i put it in the working
directory or put it in

$GMXLIB ?".



The same question with gromos53a6_lipid.ff. To this new forefield, i put it
in $GMXLIB as the tutorial said.


Regards

KT


On Mon, Dec 17, 2012 at 10:17 AM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 12/16/12 10:15 PM, Kieu Thu Nguyen wrote:
>
>> Dear All,
>>
>> I am practising the tutorial 2 of Gromacs ( KALP-15 in DPPC). In the
>> step  "Solvate
>> with water",i made a copy of vdwradii.dat and changed the value of C from
>> 0.15 to 0.375. But i don't know how to input this changed file into
>> genbox.
>> I saw genbox -h, and i don't find any option for input file.dat.
>>
>>
> The file is read automatically.
>
> -Justin
>
> --
> ==============================**==========
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> Justin A. Lemkul, Ph.D.
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> Department of Biochemistry
> Virginia Tech
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