AMBER Archive (2008)

Subject: AMBER: RE: AMBER: about addles:“forrtl: severe (71): integer divide by zero”.

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed May 14 2008 - 11:30:51 CDT

>My addles.in is as follow:
>file rprm name=(in.prmtop) read
>file rcrd name=(in.inpcrd) pack=2 read
>file wprm name=(neb.prmtop) wovr
>file wcrd name=(neb.inpcrd) wovr
>action
>~ use original mass
>omas
>pimd
>~ make 30 copies of atom 1 to 22 (the whole system)
>spac numc=30 pick #prt 1 22 done
>*EOD
> I prepared all of the document as the tutorial5. I think there should
be no
>problem.
 
> Meanwhile,I repeated the tutorial 5 with deleting the last residue of
the struct1.pdb and struct2. I found >it stopped with the same err:"forrtl:
severe (71): integer divide by zero.''
    
If you deleted the last residue then it will no longer have 22 atoms - you
would need to change the addles.in file to reflect the correct number of
atoms which would now be 16 - so #prt 1 22 ----> #prt 1 16

I am guess the same problem is present with your own system, you have the
number of atoms that addles should copy set incorrectly.

Good luck,
Ross

/\
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|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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