ntwxm,ntwvm,ntwem

From: gail louise dempsey <gd2f_at_cms.mail.virginia.edu>
Date: Tue 24 Oct 2000 18:47:45 -0400 (EDT)

Dear Amber Community:

I put ntwxm, ntwvm, and ntwem (ref, page 135 Amber Manual) into my mdin
file. When I run sander, I get the errors:
namelist read (ntzxm): variable not in namelist
namelist read (ntwvm): variable not in namelist
namelist read (ntwem): variable not in namelist

What am I doing wrong?

I do want to have output so that I can calculate the diffusion
coefficient of water in water.

Attached is the rest of my mdin file.

- Gail


molecular dynamics run
 &cntrl
        imin=0, nmropt=0, ntx=1, irest=0,
        ntrx=1, ntxo=1, ntpr=50, ntwr=50,
        iwrap=0,
        ntwx=50, ntwv=50, ntwe=50,
        ioutfm=0, ntwprt=0,
        ntf=1, ntb=2, dielc=1.0, igb=0,
        ipol=0, n3b=5, nion=0,
        cut = 8.0,
        ntt=1,ntp=1,
        nstlim=500
 &end mdin: END
Received on Tue Oct 24 2000 - 15:47:45 PDT
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