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<BR>
Thanks for your reply Justin and I cleared my doubt.<BR>
Yes I am using POPC parameters from Tielemen's website.<BR>
<BR>
On Wed, 04 Jun 2008 Justin A.Lemkul wrote :<BR>
>Are you referring to the POPC structure available from Tieleman's site, and thus the parameters found in lipid.itp and popc.itp? Those are united-atom structures. The parameters for them were based in part on OPLS parameters, hence the argument can be made that the OPLS-AA force field can be used in conjunction with these parameters, if one is careful to keep the force fields consistent (i.e., Chris Neale's procedure).<BR>
><BR>
>-Justin<BR>
><BR>
>minnale wrote:<BR>
>><BR>
>> Hi all,<BR>
>>this may be a trivial question to you that, I am using OPLS-all atomic FF for both protein and lipids. When I do protein simulations I can say that simulating protein with OPLS-all atomic FF by noticing protein.gro contain all atoms(N,H,C-alpha,HA1,HA2,C,O for Glycine etc...) for each amino acid residue, but I have doubt that how can you say that popc type lipids are simulating with OPLS-all atomic FF? if I open popc.gro files,couldnt able to find difference between atom types of opls-FF or gromos96 43a1 or some other FF.<BR>
>><BR>
>>Thanks in advance. <BR>
>><BR>
>><BR>
>>Amity<BR>
>><BR>
>>------------------------------------------------------------------------<BR>
>><BR>
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><BR>
>-- ========================================<BR>
><BR>
>Justin A. Lemkul<BR>
>Graduate Research Assistant<BR>
>Department of Biochemistry<BR>
>Virginia Tech<BR>
>Blacksburg, VA<BR>
>jalemkul[at]vt.edu | (540) 231-9080<BR>
>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<BR>
><BR>
>========================================<BR>
><BR>
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