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

--

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ==================================================================