Re: How tleap does not add missing H atoms?

From: Bill Ross <>
Date: Mon 26 Mar 2001 12:10:08 -0800 (PST)

> Could anyone suggest me how to setup tleap to
> does NOT add missing H atoms?
        What if you start tleap with the -s option so that it doesn't run the
        leaprc file (i.e. not load any libraries)? It will complain alot when
        you load your molecule, but it should still load the atoms and let you
        do a bondbydistance.
        This may or may not be useful depending on what you are trying to

In particular, you won't be able to saveamberparm, since the
atoms will have no types (or charges). If you assigned them
manually, you'd also need to loadamberparams a parmXX.dat file.

Bill Ross
Received on Mon Mar 26 2001 - 12:10:08 PST
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