AMBER Archive (2000)

Subject: Re: How to

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Oct 24 2000 - 14:47:44 CDT

I would just go around it for now by loading parm.dat
or frcmod files.

Bill Ross

         In general , parms data of proper and improper torsion parameters are
        given by 4 coulmns of numbers : IDIVF , PK , PHASE , PN.
        However, the parmSet Editor of Xleap gives 3 Columns : N field colum,
        PK/IDIV , and PHASE in radians..
        It seems that for these reasons , there is always a bug in editing these
        parameters (parm94 ) by the the use of editparmset command ...In
        particular, it seems that there is a purmutation between N field column
        and PK/IDIV column.... Indeed , Operation :"Check the table" shows always
        many mistakes , and : Invalid character in N field parameters..
        
        Please How to resolve this problem of parmset edition by xLeap..
        
        Thanks for replay..
        
        Jalel M'halla