AMBER: distance restraint and file fort.35

From: Fabien Cailliez <>
Date: Mon, 17 Jan 2005 12:34:00 +0100

Dear all,

I am using pmemd from amber8 to perform a restrained simulation with a
distance restraint.
I am using the nmropt option to do it.
It seems to work but there is a file fort.35 which is created during the
(sander from amber8 also creates this file)
This file seems to contain the same information as the DUMPAVE file.
Is it normal that I get this file ? And if so, what is its utility ?

Thanks in advance for your suggestion,

My input file is :
***************************** *****************************
100 ps MD production at constant T= 300K & P= 1Atm and coupling = 5..0
    imin=0, ntx=7, ntpr=500, ntwr=500, ntwx=500, ntwe=500,
    ntf=2, ntc=2,
    ntb=2, ntp=1, tautp=5.0, taup=5.0,
    nstlim=50000, t=0.0, dt=0.002,
# Distance restraint
 &wt type='DUMPFREQ', istep1=10, &end
 &wt type='END', &end

and the file DISANG is :
# 2 TRP CD2 37 ILE N 10
  iat=36, 599, r1= 0.0, r2 = 9.0, r3 = 9.0, r4 = 999.0,
  rk2=50.0, rk3=50.0, ir6=0, ialtd=0,

Fabien Cailliez				Tel : 01 58 41 51 63				
Laboratoire de Biochimie Théorique	e-mail :
IBPC	13, rue Pierre et Marie Curie 		
75005 Paris					
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Received on Mon Jan 17 2005 - 11:53:00 PST
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