Hi Tianyuan,
> I am running Tutorial A8 right now, but there's no default leap files
> when
> running tLeap. I wanna know which leap file I should log on and where I
> could find WATERBOX216.
> Could I just log on ff99SB and use TIP3PBOX instead?
This tutorial has not been updated for AMBER 10. TIP3PBOX is the same as
WATERBOX216 from previous versions of AMBER so yes use this instead. As for
FF99SB, yes you should probably use this. 'source leaprc.ff99sb'
Good luck,
Ross
/\
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|\oss Walker
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk |
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Received on Wed Mar 24 2010 - 11:30:03 PDT
