Thanks but I already checked the literature. What I want to do is, to be able to trace down the parameters in the nonbonded file like it can be done for any version of gromos. There are slight changes among different force fields and I'd like to be able to find that. When I find where it reads spc/e parameters for c27, i want to play with the parameters that's why i am asking the file read.<br>
<br>Thanks,<br>Nihal<br><br><div class="gmail_quote">On Wed, Jul 20, 2011 at 11:05 PM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div class="im">On 21/07/2011 12:59 PM, E. Nihal Korkmaz wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear all,<br>
<br>
I was trying to see the LJ parameters for SPC/E water in Charmm27.ff implementation in Gromacs. In the ffnonbonded.itp file i can see parameters for TIP3P, TIP4P, SPC but not for SPC/E. Does SPC/E use the same parameters with SPC? (but the charges listed in the ffnonbonded.itp is different than the ones listed in spce.itp)<br>
</blockquote>
<br></div>
Why not check out the primary literature? Search GROMACS manual for SPC, follow the reference link for the relevant citation.<br>
<br>
Mark<br><font color="#888888">
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</font></blockquote></div><br><br clear="all"><br>-- <br>Elif Nihal Korkmaz<br><br>Research Assistant <br>University of Wisconsin - Biophysics <br>Member of Qiang Cui & Thomas Record Labs<br>1101 University Ave, Rm. 8359<br>
Madison, WI 53706<br>
Phone: 608-265-3644<br>
Email: <a href="mailto:korkmaz@wisc.edu" target="_blank">korkmaz@wisc.edu</a><br><br><br>