On Wed, Oct 8, 2008 at 12:26 PM, Nicolas Vervelle <[EMAIL PROTECTED]>wrote:
>
>
> On Wed, Oct 8, 2008 at 7:06 PM, Robert Hanson <[EMAIL PROTECTED]> wrote:
>
>> First, under Windows, I have to double the \ for the coordinates file (I
>>> have to use simple \ for the topology file, and double \ for the coordinates
>>> file)
>>>
>>
>> Java uses / not \.
>>
>
> Ok, but I find it strange that the command behaviour is different between
> the topology file (simple \ ok) and the coordinates file (simple \ nok)
>
(because it wasn't the topology file, actually. It was the "fileset" name.)
>
> You are missing the FILES keyword, which still has to be there. And use /
>> instead of \ for easier results.
>>
>> load FILES "D:/Fah/p4606_98/wudata_08.top" COORD {0 -1 1}
>> "mdcrd::D:/Fah/p4606_98/wudata_08.trj"
>>
>
> Oups, thanks
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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