[gmx-users] Regarding DOPC parameters

naga raju nagaraju_cy at yahoo.co.in
Tue May 1 15:17:38 CEST 2007

Dear gmx users,
                   I downloaded popc.itp file lipid.itp file from website http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies.  Based on popc.itp file I prepared dopc.itp file for DOPC lipids. Here I have few doubts.
  1)      I would like to use 43a1 force field to my protein (transmembrane protein). May I combine this force field with dopc.itp.
  2)      Mr. Chris Neale said that modification of C6 and C12 parameters to sigma, epsilon when merging lipid.itp and OPLSAA. Corresponding link was given below.

       In my case I have to modify these parameters in lipid.itp file. 
  3)      If I have to modify lipid.itp file, I request you that can you give more details about modification of parameters and file format.
                              Any suggestion is appreciated. Thank you in advance.
                                                                                      With best regards,
                                                                                    Nagaraju Mulpuri.
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