Re: [Apbs-users] HIS

[Todd D. <to...@cc...>]

Chris is correct -  please see the FAQ in the PDB2PQR User Guide
regarding protonation states:

http://pdb2pqr.sourceforge.net/userguide.html#faq

Todd

On 4/19/06, Chang, Christopher <Chr...@nr...> wrote:
>
> PDB2PQR requires specification of the force field to be used. Since HSD i=
s a
> standard CHARMM residue, this shouldn't be a problem (just change all
> instances of "HIS" in the input PDB file to "HSD").
>
> Chris
>
>
>  ________________________________
>  From: apb...@li...
> [mailto:apb...@li...] On Behalf
> Of snoze pa
> Sent: Wednesday, April 19, 2006 12:58 PM
> To: apb...@li...
> Subject: [Apbs-users] HIS
>
>
> Hi,
>  I want to use HSD for HIS residues. Is it possible to generate .pqr file
> for this residue?
> thanks
> snoze
>