<div style="font-family: 'Times New Roman'; font-size: 1 6px;">Dear Amber Users,<br _moz_dirty="" />I have = a
protein which I initially heated to 300K and equilibrated for 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="" /> i= min = 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, ntw= x =
200, ntwr = 2000<br _moz_dirty="" /> /<br _ moz_dirty="" /><br _moz_dirty="" />Thank you for the help.<br _moz_dirty="" />Jaya.<br _moz_dirt y="" /> <br /></div>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jan 22 2010 - 09:00:02 PST
