AMBER Archive (2009)

Subject: Re: [AMBER] xleap reading hydrogens giving error

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Fri May 15 2009 - 11:25:11 CDT

On Fri, May 15, 2009, Jorgen Simonsen wrote:
>
> The second is from xleap and the first is from vmd(saving as pdb)

OK: vmd is putting out bad pdb files. You might ask the vmd list about this.
Of course, we might also modify tleap to accept the vmd result (even though it
does not satisfy the pdb requirements). For the moment, you may have to write
a script to fix up the vmd output.

...dac

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