From: Narasimhan LOGANATHAN (Narasimhan.Loganathan_at_etu.univ-provence.fr)
Date: Tue Aug 09 2011 - 07:00:28 CDT
Hi all,
I have attached the parameter and topology file along with this.
Could you help me to overcome the problem of splitPatch hydrogen
bond o* h* 554.1349 1.0000 ! water
angle h* o* h* 45.7696 109.47 ! water
! atom eps sigma eps (1:4) sigma(1:4)
! type (kcal/mol) (A)
! --------------------------------------------------------------
NONBonded h* 0.0000 0.0000 0.0000 0.0000
NONBonded ho 0.0000 0.0000 0.0000 0.0000
NONBonded o* 0.1554 3.1655 0.1554 3.1655
PSF
1 !NTITLE
REMARKS VMD generated structure x-plor psf file
2520 !NATOM
1 0 1 1 0.410000 1.0079 0
2 0 1 1 0.410000 1.0079 0
3 0 2 2 -0.820000 15.9994 0
4 0 1 1 0.410000 1.0079 0
5 0 1 1 0.410000 1.0079 0
6 0 2 2 -0.820000 15.9994 0
840 !NTHETA: angles
4 3 5 7 6 8 1 9 2
13 12 14 10 15 11 19 18 20
16 21 17 25 24 26 22 27 23
31 30 32 34 33 35 28 36 29
40 39 41 37 42 38 46 45 47
43 48 44 52 51 53 49 54 50
58 57 59 61 60 62 55 63 56
67 66 68 64 69 65 73 72 74
70 75 71 79 78 80 76 81 77
0 !NPHI: dihedrals
0 !NIMPHI: impropers
0 !NDON: donors
0 !NACC: acceptors
0 !NNB
Regards
Naresh
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