leap calculation

From: Itziar Maestre Asenjo <itziar_at_qorws1.uab.es>
Date: Wed 06 Mar 2002 18:43:44 +0100

Hi Amber users

I am trying to make a leap calculation of a cholesterol molecule. When I
run the tleap I get an error that looks like this:


Loading Prep file: ./chol_prp.in
Distance search to create bonds for: 0.000000 distance: 2.00000
Hydrogens .R<0.000000 1>.A<H44 3> and .R<0.000000 1>.A<H45 4> within
bonding distance
Hydrogens .R<0.000000 1>.A<H44 3> and .R<0.000000 1>.A<H46 5> within
bonding distance
Hydrogens .R<0.000000 1>.A<H45 4> and .R<0.000000 1>.A<H46 5> within
bonding distance
Hydrogens .R<0.000000 1>.A<H68 7> and .R<0.000000 1>.A<H69 8> within
bonding distance
Hydrogens .R<0.000000 1>.A<H66 10> and .R<0.000000 1>.A<H67 11> within
bonding distance
Hydrogens .R<0.000000 1>.A<H49 16> and .R<0.000000 1>.A<H50 17> within
bonding distance
Hydrogens .R<0.000000 1>.A<H49 16> and .R<0.000000 1>.A<H51 18> within
bonding distance
Hydrogens .R<0.000000 1>.A<H50 17> and .R<0.000000 1>.A<H51 18> within
bonding distance
Hydrogens .R<0.000000 1>.A<H58 20> and .R<0.000000 1>.A<H59 21> within
bonding distance
..........
.........

any suggestion about my problem?

thanks in advance
Received on Wed Mar 06 2002 - 09:43:44 PST