AMBER Archive (2008)

Subject: AMBER: install amber tools

From: Alejandro Valbuena (
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

< 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 with source.out possible FAILURE:  check source.out.dif ==============================================================

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


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


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

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