RE: about psf file

From: Kamp, Marc vander (
Date: Wed Jun 16 2004 - 11:34:51 CDT

These 'keywords' orignally are substitution parameters available within CHARMM.
In the psf file you see the so-called psf-counts.
'NGRP' is number of groups (not important for your NAMD simulation I think)
'NNB' is number of explicit nonbond exclusions

        -----Original Message-----
        From: on behalf of mashaojie163
        Sent: Wed 16-6-2004 16:33
        To: namd-l
        Subject: namd-l: about psf file
        Dear Sir:
             Do you know what is meaning of keywords "!NNB" and "!NGRP" in psf file ?
            Best Regards
                                          Ma Shaojie

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