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 -- View this message in context: http://gromacs.5086.n6.nabble.com/lipid-SPC-SPCE-interactions-in-lipid-itp-Tieleman-website-tp5006137.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
