<div style="font-family: 'Times New Roman'; font-size: 1 6px;">Dear Amber Users,<br _moz_dirty="" />I apolo gize for resending this mail. But my earlier one seems to be scramb led.<br _moz_dirty="" /> I have a protein which I initially
heated to 300K and equilibrated fo= r 4 ns. Now I wish to heat the
system further to 325 K. I am using the= final 4ns equilibrated system as
starting point. I am getting the following error:<br
_moz_dirty="" /> <br _moz_dirty="" /> <br
_moz_dirty="" /> >$AMBERHOME/exe/sander -O -i
2a6_md16.in -p 2a6.prmtop -c= 2a6_md15.rst -r 2a6_md16.rst -o
2a6_md16.out -x 2a6_md16.= mdcrd -ref 2a6_md15.rst<br
_moz_dirty="" /> >At line 189 of file _rgroup.f<br
_moz_dirty="" /= > Fortran runtime error: End of file<br
_moz_dirty="" /> <br _moz_dirty="" /> The input is
given below:<br _moz_dirty="" /> &cntrl<br
_moz_dirty="" /> imin = 0,<br
_moz_dirty="" /> irest = 1,<br
_moz_dirty="" /> ntx = 7,<br
_moz_dirty="" /> ntb = 1,<br
_moz_dirty="" /> cut = 10,<br
_moz_dirty="" /> ntr = 1,<br
_moz_dirty="" /> ntc = 2,<br
_moz_dirty="" /> ntf = 2,<br
_moz_dirty="" /> tempi = 300.0,<br
_moz_dirty="" /> temp0 = 350.0,<br
_moz_dirty="" /> ntt = 3,<br
_moz_dirty="" /> gamma_ln = 1.0,<br
_moz_dirty="" /> nstlim = 20000, dt = 0.002<br
_moz_dirty="" />= ntpr = 200, ntwx = 200, ntwr =
2000<br _moz_dirty== "" /> /<br _moz_dirty=""
/> <br _moz_dirty="" /> Thank you for the help.<br
_moz_dirty="" /> Jaya.</div>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jan 22 2010 - 09:30:03 PST
