Hi Fangyu,
Water.lib hasn't existed since AMBER8 - it is now defunct and has been
replaced by solvents.lib which contains various solvents in addition to
water. Try $AMBERHOME/dat/leap/lib/solvents.lib and see if that works.
Note WATBOX216 from water.lib is now referenced as TIP3PBOX in solvents.lib.
All the best
Ross
/\
\/
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk/ | PGP Key available on request |
> -----Original Message-----
> From: owner-amber.scripps.edu
> [mailto:owner-amber.scripps.edu] On Behalf Of fangyu liang
> Sent: 01 July 2004 13:22
> To: amber.scripps.edu
> Subject: AMBER: no 'water.lib' in /amber8/dat/leap/
>
> Hi,
>
> I installed Amber 8. I have a script for energy
> minimization. It calls out 'water.lib'. But there is no
> 'water.lib' in Amber 8. What should I do? Pleasae advise.
> Thank you very much!
>
> Sincerely,
>
> Fangyu
>
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Received on Thu Jul 01 2004 - 21:53:00 PDT
