Thank you very much!
I will check with them carefully.
Ye
2011/6/23 Justin A. Lemkul
>
>
> Ye Yang wrote:
>
>> Just no reply from them for some time...
>>
>
> Well, that's unfortunate. I'd hazard a guess that all the units are
> reduced, but that's just a hunch. Theoretically, all your input
Ye Yang wrote:
Just no reply from them for some time...
Well, that's unfortunate. I'd hazard a guess that all the units are reduced,
but that's just a hunch. Theoretically, all your input and output should be in
reduced units. My hunch is based on the fact that everything shown (in term
Just no reply from them for some time...
Thank you anyway.
Ye
2011/6/22 Justin A. Lemkul
>
>
> Ye Yang wrote:
>
>> Thank you very much, Mark.
>>
>> Is there anyway I can know the unit of input from the top file? I am not
>> sure what I am getting from the webtool, although it shows "kj/mol" the
Ye Yang wrote:
Thank you very much, Mark.
Is there anyway I can know the unit of input from the top file? I am not
sure what I am getting from the webtool, although it shows "kj/mol" the
instruction on the web says the unit is reduced unit, which makes me
confused. In the former case I do n
Thank you very much, Mark.
Is there anyway I can know the unit of input from the top file? I am not
sure what I am getting from the webtool, although it shows "kj/mol" the
instruction on the web says the unit is reduced unit, which makes me
confused. In the former case I do not need to convert, bu
On 23/06/2011 10:36 AM, Ye Yang wrote:
Hi,
Thanks for replying, Yang.
But I still did not get it fully:
1. So if we use reduced unit in input, the output and calculation
is still assumed to be in standard units?
The calculation uses the same algorithm and whatever values you input.
Hi,
Thanks for replying, Yang.
But I still did not get it fully:
1. So if we use reduced unit in input, the output and calculation is
still assumed to be in standard units? But the calculation itself is
different since the constants are different, so the result must differed a
lot. Does
Hi,
The unit in output is in assumed to be for the standard unit input while the
value is in reduced unit.
So you need to do your own calculation to figure out what's the reduced unit
is.
Regards,
Yang Ye
On Thu, Jun 23, 2011 at 5:48 AM, Ye Yang wrote:
> Dear all:
> I see from the use
Dear all:
I see from the user's manual that if our input is in reduced unit,
the output will also be in reduced unit(,
ftp://ftp.gromacs.org/pub/manual/3.1/manual-a4-3.1.1.pdf), P25. On the
contrary, if we use standard unit, the out put will be in standard unit.
This brings the que
Dear all:
I see from the user's manual that if our input is in reduced unit,
the output will also be in reduced unit(,
ftp://ftp.gromacs.org/pub/manual/3.1/manual-a4-3.1.1.pdf), P25. On the
contrary, if we use standard unit, the out put will be in standard unit.
This brings the que
10 matches
Mail list logo
