RE: constrain or fix the system only in Z direction

From: JC Gumbart (gumbart_at_ks.uiuc.edu)
Date: Thu Jul 21 2005 - 09:34:22 CDT

I don’t believe there is a way to fix the z coordinates alone. You can do
it with harmonic constraints though, see the namd manual for more info.

 

  _____

From: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf
Of xiaojing gong
Sent: Thursday, July 21, 2005 7:02 AM
To: namd
Subject: namd-l: constrain or fix the system only in Z direction

 

Dear all,

     I want to constrain or fix the system only in Z direction, I know that
in fixedAtomsCol I should choose Z, but I don't know how to make a flag in
fixedAtomsFile ,for in pdb file the Z-direction coordinates can't be made 1
.

gongxiaojing

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