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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

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

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