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

Kieu Thu Nguyen kieuthu2212 at gmail.com
Mon Dec 17 04:41:39 CET 2012


I got it. Thank Justin !
Regards
KT


On Mon, Dec 17, 2012 at 10:28 AM, Kieu Thu Nguyen <kieuthu2212 at gmail.com>wrote:

> 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
>>
>> --
>> ==============================**==========
>>
>> Justin A. Lemkul, Ph.D.
>> Research Scientist
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu | (540) 231-9080
>> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>>
>> ==============================**==========
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