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<DIV><FONT face=Arial size=2>Hi,</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I got a problem with the output structure files
(gro/trr/xtc) generated by the energy minimization with GROMACS 4. That is, when
I used the generated structure as the input for further minimizations
or MD simulations, I got very large potential energy and forces at step 0, as if
the structure had not been optimized at all. On the other hand, there is no
problem when the input structure is taken from a previous MD run, and
I got the expected potential at step 0. There is no problem, too, </FONT><FONT
face=Arial size=2>if I use GROMACS 3 to do the minimization. </FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Any help is greatly appreciated!</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Hao Jiang</FONT></DIV>
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