Re: Problems with AMBER

From: Bill Ross <>
Date: Fri 29 Jun 2001 16:23:06 -0700 (PDT)

        a question regarding carnal. I can specify residues but how do
        you specify exact atoms when using the distance calculation DIST. (For
        example, instructing the script to measure the distance between the
        N-terminal Nitrogen atom and the C-terminal carboxyl carbon).
You can't specify classes of pairs, (for all pairs between
two groups can be done with DISTRIBUTION DIST I think), but
simple pair-of-atoms distances, specify <atom_name residue_number>,

  DIST d1 N 1 C 2;

for N in res 1 to C in res 2.

Bill Ross
Received on Fri Jun 29 2001 - 16:23:06 PDT
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