AMBER Archive (2003)

Subject: Re: bond command

From: Craig A Bayse (CBayse_at_odu.edu)
Date: Wed Feb 05 2003 - 15:30:36 CST

Thanks,
I figured out the problem, but when i try to save the prmtop and inpcrd
files, i get an error that says i cannot add the bond.

                                                                                                     
                      "David A. Case"
                      <case_at_scripps.edu To: Craig A Bayse <CBayse_at_odu.edu>
> cc: amber_at_heimdal.compchem.ucsf.edu
                                               Subject: Re: bond command
                      02/05/03 01:30 AM
                      Please respond to
                      amber
                                                                                                     
                                                                                                     

On Wed, Feb 05, 2003, Craig A Bayse wrote:

>
> > bond ptres.136.sg ptres.568.sg
> bond: Argument #1 is type String must be of type: [atom]
> usage: bond <atom1> <atom2> [order]
>

Atom names are case sensitive: try SG rather than sg. The "desc" command
can always be used to help you decide what LEaP knows about at any
particular point.

..hope this helps...dac 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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