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<DIV><FONT face=Arial size=2>Thanks Qiao for your reply.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>But If I am using genpair = no (GROMOS 96 force
field) then there is no meaning of <FONT face="Times New Roman" size=3>
fudgeLJ and fudgeQQ (correct me if I am wrong).</FONT></FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV>So more specific if I am using GROMOS96 force
field then <FONT face=Arial size=2>is there any scaling for 1-4
columb interaction??</FONT></DIV>
<DIV><FONT face=Arial size=2>if yes then how?</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Regards,</FONT></DIV>
<DIV><FONT face=Arial size=2>Alok</FONT></DIV>
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<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=qiaobf@gmail.com href="mailto:qiaobf@gmail.com">Qiao Baofu</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A title=gmx-users@gromacs.org
href="mailto:gmx-users@gromacs.org">Discussion list for GROMACS users</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Wednesday, September 20, 2006 7:17
PM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> Re: [gmx-users] 1-4 columb
interaction</DIV>
<DIV><BR></DIV>In the force field file ff***.itp, there are two terms to
scale lj and coloumb after the option: generating pairs.<BR><BR>
<DIV><SPAN class=gmail_quote>2006/9/20, Alok <<A
href="mailto:alokjain@iitk.ac.in ">alokjain@iitk.ac.in </A>>:</SPAN>
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<DIV>
<DIV bgcolor="#ffffff">
<DIV><FONT face=Arial size=2>Dear All,</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Is there any scaling for 1-4 columb
interaction in gromacs force field if yes then how? is it also like LJ14
which uses separate set of parameters for 1-4 interaction?</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Manual only talked about separate parameters
for LJ14 specifically for repulsion term, but in mailing list it was
mentioned that there is always scaling for Columb-14 but how I am not able
to get?</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Regards,</FONT></DIV>
<DIV><FONT face=Arial size=2>Alok</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial
size=2></FONT> </DIV></DIV></DIV><BR>_______________________________________________<BR>gmx-users
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</A><BR><BR></BLOCKQUOTE></DIV><BR><BR clear=all><BR>-- <BR>Sincerely
yours,<BR>**********************************************<BR>Baofu Qiao,
PhD<BR>Frankfurt Institute for Advanced Studies<BR>Max-von-Laue-Str.
1<BR>60438 Frankfurt am Main, Germany TEL:+49-69-7984-7529
<BR>**********************************************
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