AMBER Archive (2003)

Subject: Re: Re: Error Massage in Sander amber7 in Linux

From: N. Jiten Singh (jiten_at_postech.ac.kr)
Date: Wed Feb 12 2003 - 08:13:17 CST

Hello,

I have deleted the the variables and check the remaining. I found the following variables in the manual but still giving the same errors.

The new input file is

 &cntrl
     imin = 0,
     ntx = 1, irest = 0,JavaScript: mailSend()
http://wmail.postech.ac.kr/template/kor2/images/ic_send.gif
     ntxo = 1, ntpr = 50, ntwr = 50, ntwx = 50, ntwe = 50, ntwv = 0,
        ioutfm = 0, ntwprt = 0,
     ntf = 1, ntb = 2, idiel = 1, dielc = 1.0, cut = 14.0, nsnb = 10,
        scnb = 2.0, scee = 1.2,
     ipol = 1, ibelly = 0,
     nstlim = 40000, t = 0.0, dt = 0.002, dtemp = 30
     ntt = 1,
     ntp = 1, pres0 = 1.0, taup = 0.2,
     ntc = 1, tol= 0.00005
 &end
 &wt type = 'TEMP0', istep1=0, istep2=5000, value1=0., value2=50. &end
 &wt type = 'TEMP0', istep1=5001, istep2=10000, value1=50., value2=100. &end
 &wt type = 'TEMP0', istep1=10001, istep2=15000, value1=100., value2=150. &end
 &wt type = 'TEMP0', istep1=15001, istep2=20000, value1=150., value2=200. &end
 &wt type = 'TEMP0', istep1=20001, istep2=25000, value1=200., value2=250. &end
 &wt type = 'TEMP0', istep1=25001, istep2=30000, value1=250., value2=300. &end
 &wt type = 'TEMP0', istep1=30001, istep2=40000, value1=300., value2=300. &end
 &wt type = 'END' &end 

--
Thanking for your further suggestions,

Best wishes,

Jiten

> 
> 
> -----Original message-----
> From: "David A.  Case" 
> To: "N. Jiten Singh" 
> Cc: amber_at_heimdal.compchem.ucsf.edu
> Date: 02/12/2003(Wed)22:22
> Subject: Re: Error Massage in Sander amber7 in Linux
> 
> On Wed, Feb 12, 2003, N. Jiten Singh wrote:
> > 
> > namelist read: variable not in namelist
> 
> This means what it says: one of the variables you have in the namelist
> statement in your input is not recognized.
> 
> Unfortunately, many compilers won't tell you which variable(s) they don't
> like, so you just have to compare your input by hand to the list of
> variables in the Users' Manual, or in the code, in mdread.f.
> 
> >         ntwxm = 0, ntwvm = 0,
> 
> Above are not legal variables.
> 
> ..good luck...dac
> 
> -- 
> 
> ==================================================================
> David A. Case                     |  e-mail:      case_at_scripps.edu
> Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
> The Scripps Research Institute    |  phone:        +1-858-784-9768
> 10550 N. Torrey Pines Rd.         |  home page:                   
> La Jolla CA 92037  USA            |    http://www.scripps.edu/case
> ==================================================================
>