[gmx-users] lipid-SPC/SPCE interactions in lipid.itp (Tieleman website)

[fciocco]

Hi, 

I have a quick question: 

the ;; lipid-SPC/SPCE interactions section : 
   LO    OW    1 2.50200e-03  2.06700e-06
  LOM    OW    1 2.50200e-03  2.06700e-06
  LNL    OW    1 2.98000e-03  3.25900e-06
   LC    OW    1 3.59800e-03  6.04400e-06
  LH1    OW    1 3.26800e-03  5.71200e-06
  LH2    OW    1 4.30700e-03  8.17000e-06
   LP    OW    1 4.92600e-03  8.21000e-06
  LOS    OW    1 2.60500e-03  2.24100e-06
  LP2    OW    1 3.94400e-03  7.80300e-06
  LP3    OW    1 4.82100e-03  9.53900e-06
  LC3    OW    1 4.97800e-03  9.85000e-06
  LC2    OW    1 3.96900e-03  6.93800e-06

 in the [ nonbond_params ] section in lipid.itp file downloaded from
Tieleman's site should be include in the ffnonbonded.itp file?

the KALP-DPPC tutorial says: In the [ nonbond_params ] section, you will
find the line ";; parameters for lipid-GROMOS interactions." Delete this
line and all of the subsequent lines in this section; but I'm not 100% sure 
if I have to delete the lipid-SPC/SPCE interactions lines.

thank in advance, 
Facundo  



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