On Wed, Apr 8, 2015 at 11:33 AM, Vaibhav Dixit <vaibhavadixit.gmail.com>
wrote:
> Hi All,
> I have followed the procedure suggested and used the following modified
> leap input file and it seems to work except for the fact that bond between
> S and Fe is not formed.
> Can you please suggest on the correct usage for "bond" command? I have
> tried "bond P450.6768.SG P450.7755.FE 1", "bond 6768 7755 1" but got the
>
The second number should be the *residue* number, not the atom number.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Apr 08 2015 - 10:30:02 PDT
