AMBER Archive (2003)

Subject: solvents aren't loading

From: Mac Brown (macbrown_at_lanl.gov)
Date: Tue Apr 15 2003 - 15:20:15 CDT


Hi, and thanks to Peter Haggerty for the Mac OS X howto.

        I have installed Amber 7.0, with no evident errors. When
I load the leaprc.ff99 file, however, the libraries appear to load
incorrectly.
Here is the section of the leap.log file demonstrating the problem.

                        Any help would be appreciated!
                                                                                Mac Brown

>> loadOff solvents.lib
Loading library:
/Users/macbrown/Desktop/amber7/dat/leap/lib/solvents.lib
Loading: CHCL3BOX
  (turning off box flag on - bad param(s)
    beta 2.122047e-314 XYZ 1.188341e-312 1.188320e-312 1.188318e-312)
Loading: MEOHBOX
  (turning off box flag on - bad param(s)
    beta 2.122047e-314 XYZ 4.244223e-313 4.244011e-313 4.243992e-313)
Loading: NMABOX
  (turning off box flag on - bad param(s)
    beta 2.122047e-314 XYZ 5.517420e-313 5.517208e-313 5.517189e-313)
Loading: PL3
Loading: POL3BOX
  (turning off box flag on - bad param(s)
    beta 2.122047e-314 XYZ 3.819823e-313 3.819611e-313 3.819592e-313)
Loading: SPC
Loading: TIP4PBOX
  (turning off box flag on - bad param(s)
    beta 2.122047e-314 XYZ 3.819823e-313 3.819611e-313 3.819592e-313)
Loading: TP3
Loading: TP4
Loading: TP5
Loading: WATBOX216
  (turning off box flag on WATERBOX18 - bad param(s)
    beta 1.909797e-312 XYZ 3.819823e-313 3.819611e-313 3.819592e-313)
>> HOH = TP3
>> WAT = TP3