AMBER Archive (2009)

Subject: [AMBER] error in AMBer distance constraint

From: xuemeiwang1103 (xuemeiwang1103_at_163.com)
Date: Sun Oct 25 2009 - 21:24:09 CDT

Hi,
I want constrain a distance in my system, but when I ran the input file, there are some errors in my output file. here is my input file:
    &cntrl
 imin=1,maxcyc=10000,ncyc=2000,
 ntb=1,igb=0,ntr=1,
 cut=8.0,
 ntpr=100,
 nmropt=1,
&end
&wt type='REST',istep1=1,istep2=10000,
 value1=1.0,
 value2=1.0,&end
&wt type='END'/
 LISTOUT=RST.OUT
DISANG=dis.RST
 NMR DISTANTENT.FILE
&rst iat= 9292, 7786, r1= 1.5, r2= 2.5, r3 = 3.0, r4 = 5.0, rk2=10.0, rk3=10.0, ir6=1, /
&ENd
and here is errors in my out put file:
     5. REFERENCE ATOM COORDINATES
             
      
    ----- READING GROUP 1; TITLE:
  NMR DISTANTENT.FILE
    
     rfree: Error decoding variable 1 3 from:
&rst
     this indicates that your input contains
    
      incorrect information
    
     field 1 was supposed to
      have a (1=character, 2=integer, 3=decimal) value

I hope that someone can help me to deal with this trouble, thank you!!!
 
 


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