AMBER Archive (2002)

Subject: crdgrow

From: Ioana Cozmuta (ioana_at_nas.nasa.gov)
Date: Tue Oct 08 2002 - 12:19:23 CDT

Hi all,

I've submitted a question on Friday but maybe it was too unclear so here
is the abstract of it and I would appreciate if anyone could help.
So here are the questions:

1. what is the correct format of a prepin file name to use with crdgrow
(I've tried the one on page 74 and I got a core dumped error message). I
would appreciate if someone could send me the prepin file for an
aminoacid.

2. when I load a pdb structure in LEaP it will automatically add missing
atoms and hydrogens. Is there a feature to use to tell LEaP not to add the
hydrogens (I mean I can always write out the pdb file, edit the text file
and remove the hydrogens myself but it would be easier if I could tell
LEaP just not to do this)?

Sorry if these questions are too trivial, however I would appreciate a
little help.

Thanks,
Ioana