AMBER Archive (2006)

Subject: Re: AMBER: Compile AMBER 8

From: Esther Brugger (esther_brugger_at_yahoo.com)
Date: Mon Oct 30 2006 - 09:28:08 CST

Thank a lot for your help. I got it.
 I've another basic question. Now I try to divide a big molecule into some small residues. I calculate the charge for each of the residues by antechamber. Because each residue will delete one H atom, then can bind them together. How can I bind these residues together with total charge is 0?
 Thank you very much.
 esther B.
"David A. Case" <case_at_scripps.edu> wrote: On Fri, Oct 27, 2006, Esther Brugger wrote:

>
> /usr/bin/ld: skipping incompatible /usr/X11R6/lib/libXt.so when searching for -lXt
> /usr/bin/ld: skipping incompatible /usr/X11R6/lib/libXt.a when searching for -lXt
> /usr/bin/ld: cannot find -lXt

Please see http://amber.ch.ic.ac.uk/archive/200606/0011.html

The simplest thing (I think) is to set CC to 'gcc -m32' in your config.h
file; then make clean and recompile (at least the leap part).

[Note: amber 8 is old enough that special tweaks for 64-bit systems were not
always available then. This and other problems should not exist with Amber
9.]

...good luck...dac

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