On Wed, Aug 02, 2006, AYTUG TUNCEL wrote:
>
> Is there any way to convert brookhaven PDB format to AMBER pdb format. Because hydrogen atoms are represented by different nomenclature. for ex:
>
> in MET hydrogens of CG are represented by HG1 and HG2 but in AMBER format they are HG2 and HG3.
>
The "protonate" command can do this: use the -k flag to preserve the
locations, but change the names, of the protons in the input file.
...dac
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Received on Sun Aug 06 2006 - 06:07:05 PDT
