Hi Nicholus
> I have copied leaprc.ff99SB as leaprc in my working
> directory. the tleap is working fine. but i can not use the solvateBox mol
> WATBOX216 10. its showing massage as bellow
>
> solvateBox: Argument #2 is type String must be of type: [unit]
> usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]
WATBOX216 does not exist in AMBER 9 anymore. It is now called TIP3PBOX so
use that instead:
solvatebox mol TIP3PBOX 10.0
> what else do i have to copy to my working directory. the tutorial provided
> with the amber9 cd does not tell everything in details. please help. thanx
> in advance.
I suggest using the tutorials on
http://ambermd.org/tutorials/ These are
updated more frequently.
All the best
Ross
/\
\/
|\oss Walker
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be read every day, and should not be used for urgent or sensitive issues.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Feb 25 2009 - 08:27:03 PST
