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.
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..