AMBER Archive (2008)

Subject: AMBER: install amber tools

From: Alejandro Valbuena (avalbuena_at_cajal.csic.es)
Date: Wed May 28 2008 - 05:14:35 CDT

   Dear Amber team,

   recently I have installed amber tools, but the test was FAILED and
WARNING and when I run xleap I'm not able to use the graphical
interface...I'm not sure if is needed any graphical library or link
to use the graphical menu. Could you help me? These are the outputs
FAILED during the Amber Tools test:

  ==============================================================

  Running test of randomized embedding

1c1
< radius of gyration:    7.340 

---
radius of gyration:    7.294
   FAILED (OK if gyration radius is about 7 or 
  ==============================================================

  Running test to do simple lmod optimization

1c1
< Glob. min. E         =     -122.793 kcal/mol
---
Glob. min. E         =     -124.234 kcal/mol
   FAILED (probably OK if energy is -115 to -125)
==============================================================
cd source; ./Run.source
diffing source.out.save with source.out
possible FAILURE:  check source.out.dif
==============================================================

  cd prmtop; ./Run.prmtop2
this is long test, wait paitently.....
diffing box.out.save with box.out
possible FAILURE:  check box.out.dif

  ==============================================================

   Thanks for all and I'm waiting to hearing from you,

   sincerely,

A. Valbuena
PhD Student.
Cajal Institute. (CSIC)
New Micr. Lab. (UAM)
Tlf: +0034-914974754
Madrid. Spain.

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