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<DIV><FONT face=MingLiu size=2>Dear gmx_users;</FONT></DIV>
<DIV><FONT face=細明體 size=2> I have a pdb file with net charge
+4. How would I neutralize it?</FONT></DIV>
<DIV><FONT face=細明體 size=2>I have tried "protonate" this program. And I
don't think it works if I </FONT><FONT face=細明體 size=2>use -ignh option in
pdb2gmx command. </FONT></DIV>
<DIV><FONT face=細明體 size=2> By thw way,I try to use PME
method. Will it </FONT></DIV>
<DIV><FONT face=細明體 size=2>make big differences that the net charge isn't
zero? </FONT></DIV>
<DIV><FONT face=細明體 size=2> Thanks for helping me to
solve these questions.</FONT></DIV>
<DIV><FONT face=細明體 size=2></FONT> </DIV>
<DIV><FONT face=細明體 size=2>Jia-lin</FONT></DIV></DIV>
<DIV><FONT face=MingLiu
size=2>==============================================================<BR>Jia-lin
Lo<BR>Dept. of Physics ,National Central University,<BR>Chung Li ,
Taiwan,<BR>e-mail : <A
href="mailto:jllo@phy.ncu.edu.tw">jllo@phy.ncu.edu.tw</A> Home page: <A
href="http://pooh.phy.ncu.edu.tw/~jllo/">http://pooh.phy.ncu.edu.tw/~jllo/</A><BR>==============================================================</FONT></DIV></BODY></HTML>