Dear Friend,
while running mm-pbsa for binding energy calculation i
am getting following error. i have checked the mail
archive and i made coordinate file top file many time
but this error is still same with vertex as i have
given in the previous mail.
*****************************************
vertex atom mismatch
atom: 31
vertex atom: 29
vertex atom mismatch
atom: 31
vertex atom: 29
***********************************************
WARNING: Missing VDWNB for MM in 1 -> Taken from 0
WARNING: Missing ANGLE for MM in 1 -> Taken from 0
WARNING: Missing VDW14 for MM in 2 -> Taken from 1
WARNING: Missing VDWNB for MM in 2 -> Taken from 1
WARNING: Missing ANGLE for MM in 2 -> Taken from 1
WARNING: Missing SURF for MS in 2 -> Taken from 1
WARNING: Missing ELE14 for MM in 3 -> Taken from 2
WARNING: Missing VDW14 for MM in 3 -> Taken from 2
WARNING: Missing ANGLE for MM in 3 -> Taken from 2
WARNING: Missing SURF for MS in 3 -> Taken from 2
WARNING: Missing ELE14 for MM in 4 -> Taken from 3
WARNING: Missing ELENB for MM in 4 -> Taken from 3
WARNING: Missing VDW14 for MM in 4 -> Taken from 3
WARNING: Missing VDWNB for MM in 4 -> Taken from 3
WARNING: Missing ANGLE for MM in 4 -> Taken from 3
WARNING: Missing SURF for MS in 4 -> Taken from 3
WARNING: Missing ELE14 for MM in 5 -> Taken from 4
WARNING: Missing ELENB for MM in 5 -> Taken from 4
WARNING: Missing VDW14 for MM in 5 -> Taken from 4
WARNING: Missing VDWNB for MM in 5 -> Taken from 4
WARNING: Missing ANGLE for MM in 5 -> Taken from 4
WARNING: Missing SURF for MS in 5 -> Taken from 4
WARNING: Missing ELE14 for MM in 6 -> Taken from 5
WARNING: Missing VDW14 for MM in 6 -> Taken from 5
WARNING: Missing ANGLE for MM in 6 -> Taken from 5
WARNING: Missing ELE14 for MM in 7 -> Taken from 6
WARNING: Missing ELENB for MM in 7 -> Taken from 6
WARNING: Missing VDW14 for MM in 7 -> Taken from 6
WARNING: Missing VDWNB for MM in 7 -> Taken from 6
WARNING: Missing SURF for MS in 7 -> Taken from 6
WARNING: Missing ELENB for MM in 8 -> Taken from 7
WARNING: Missing VDW14 for MM in 8 -> Taken from 7
WARNING: Missing VDWNB for MM in 8 -> Taken from 7
WARNING: Missing ELE14 for MM in 9 -> Taken from 8
WARNING: Missing VDW14 for MM in 9 -> Taken from 8
WARNING: Missing VDWNB for MM in 9 -> Taken from 8
WARNING: Missing ELE14 for MM in 10 -> Taken from
9
WARNING: Missing ELENB for MM in 10 -> Taken from
9
WARNING: Missing VDW14 for MM in 10 -> Taken from
9
WARNING: Missing VDWNB for MM in 10 -> Taken from
9
WARNING: Missing SURF for MS in 10 -> Taken from 9
WARNING: Missing ELENB for MM in 11 -> Taken from
10
WARNING: Missing VDWNB for MM in 11 -> Taken from
10
WARNING: Missing SURF for MS in 11 -> Taken from
10
WARNING: Missing ELE14 for MM in 12 -> Taken from
11
WARNING: Missing VDW14 for MM in 12 -> Taken from
11
WARNING: Missing VDWNB for MM in 12 -> Taken from
11
WARNING: Missing ELENB for MM in 13 -> Taken from
12
WARNING: Missing VDW14 for MM in 13 -> Taken from
12
WARNING: Missing VDWNB for MM in 13 -> Taken from
12
WARNING: Missing ELE14 for MM in 14 -> Taken from
13
WARNING: Missing ELENB for MM in 14 -> Taken from
13
WARNING: Missing VDW14 for MM in 14 -> Taken from
13
WARNING: Missing VDWNB for MM in 14 -> Taken from
13
WARNING: Missing SURF for MS in 14 -> Taken from
13
WARNING: Missing ELE14 for MM in 15 -> Taken from
14
WARNING: Missing VDW14 for MM in 15 -> Taken from
14
WARNING: Missing VDWNB for MM in 15 -> Taken from
14
WARNING: Missing SURF for MS in 15 -> Taken from
14
WARNING: Missing ELE14 for MM in 16 -> Taken from
15
WARNING: Missing ELENB for MM in 16 -> Taken from
15
WARNING: Missing VDW14 for MM in 16 -> Taken from
15
WARNING: Missing VDWNB for MM in 16 -> Taken from
15
WARNING: Missing ANGLE for MM in 16 -> Taken from
15
WARNING: Missing VDW14 for MM in 17 -> Taken from
16
WARNING: Missing VDWNB for MM in 17 -> Taken from
16
WARNING: Missing ANGLE for MM in 17 -> Taken from
16
WARNING: Missing ELENB for MM in 18 -> Taken from
17
WARNING: Missing VDWNB for MM in 18 -> Taken from
17
WARNING: Missing ELE14 for MM in 19 -> Taken from
18
WARNING: Missing VDW14 for MM in 19 -> Taken from
18
WARNING: Missing VDWNB for MM in 19 -> Taken from
18
WARNING: Missing ANGLE for MM in 19 -> Taken from
18
Reading telo_rec.all.out
Checking CALC
WARNING: Missing VDWNB for MM in 1 -> Taken from 0
WARNING: Missing ANGLE for MM in 1 -> Taken from 0
WARNING: Missing VDW14 for MM in 2 -> Taken from 1
WARNING: Missing VDWNB for MM in 2 -> Taken from 1
WARNING: Missing ANGLE for MM in 2 -> Taken from 1
WARNING: Missing SURF for MS in 2 -> Taken from 1
WARNING: Missing ELE14 for MM in 3 -> Taken from 2
WARNING: Missing VDW14 for MM in 3 -> Taken from 2
WARNING: Missing ANGLE for MM in 3 -> Taken from 2
WARNING: Missing SURF for MS in 3 -> Taken from 2
WARNING: Missing ELE14 for MM in 4 -> Taken from 3
WARNING: Missing ELENB for MM in 4 -> Taken from 3
WARNING: Missing VDW14 for MM in 4 -> Taken from 3
WARNING: Missing VDWNB for MM in 4 -> Taken from 3
WARNING: Missing ANGLE for MM in 4 -> Taken from 3
WARNING: Missing SURF for MS in 4 -> Taken from 3
WARNING: Missing ELE14 for MM in 5 -> Taken from 4
WARNING: Missing ELENB for MM in 5 -> Taken from 4
WARNING: Missing VDW14 for MM in 5 -> Taken from 4
WARNING: Missing VDWNB for MM in 5 -> Taken from 4
WARNING: Missing ANGLE for MM in 5 -> Taken from 4
WARNING: Missing SURF for MS in 5 -> Taken from 4
WARNING: Missing ELE14 for MM in 6 -> Taken from 5
WARNING: Missing VDW14 for MM in 6 -> Taken from 5
WARNING: Missing ANGLE for MM in 6 -> Taken from 5
WARNING: Missing ELE14 for MM in 7 -> Taken from 6
WARNING: Missing ELENB for MM in 7 -> Taken from 6
WARNING: Missing VDW14 for MM in 7 -> Taken from 6
WARNING: Missing VDWNB for MM in 7 -> Taken from 6
WARNING: Missing SURF for MS in 7 -> Taken from 6
WARNING: Missing ELENB for MM in 8 -> Taken from 7
WARNING: Missing VDW14 for MM in 8 -> Taken from 7
WARNING: Missing VDWNB for MM in 8 -> Taken from 7
WARNING: Missing ELE14 for MM in 9 -> Taken from 8
WARNING: Missing VDW14 for MM in 9 -> Taken from 8
WARNING: Missing VDWNB for MM in 9 -> Taken from 8
WARNING: Missing ELE14 for MM in 10 -> Taken from
9
WARNING: Missing ELENB for MM in 10 -> Taken from
9
WARNING: Missing VDW14 for MM in 10 -> Taken from
9
WARNING: Missing VDWNB for MM in 10 -> Taken from
9
WARNING: Missing SURF for MS in 10 -> Taken from 9
WARNING: Missing ELENB for MM in 11 -> Taken from
10
WARNING: Missing VDWNB for MM in 11 -> Taken from
10
WARNING: Missing SURF for MS in 11 -> Taken from
10
WARNING: Missing ELE14 for MM in 12 -> Taken from
11
WARNING: Missing VDW14 for MM in 12 -> Taken from
11
WARNING: Missing VDWNB for MM in 12 -> Taken from
11
WARNING: Missing ELENB for MM in 13 -> Taken from
12
WARNING: Missing VDW14 for MM in 13 -> Taken from
12
WARNING: Missing VDWNB for MM in 13 -> Taken from
12
WARNING: Missing ELE14 for MM in 14 -> Taken from
13
WARNING: Missing ELENB for MM in 14 -> Taken from
13
WARNING: Missing VDW14 for MM in 14 -> Taken from
13
WARNING: Missing VDWNB for MM in 14 -> Taken from
13
WARNING: Missing SURF for MS in 14 -> Taken from
13
WARNING: Missing ELE14 for MM in 15 -> Taken from
14
WARNING: Missing VDW14 for MM in 15 -> Taken from
14
WARNING: Missing VDWNB for MM in 15 -> Taken from
14
WARNING: Missing SURF for MS in 15 -> Taken from
14
WARNING: Missing ELE14 for MM in 16 -> Taken from
15
WARNING: Missing ELENB for MM in 16 -> Taken from
15
WARNING: Missing VDW14 for MM in 16 -> Taken from
15
WARNING: Missing VDWNB for MM in 16 -> Taken from
15
WARNING: Missing ANGLE for MM in 16 -> Taken from
15
WARNING: Missing VDW14 for MM in 17 -> Taken from
16
WARNING: Missing VDWNB for MM in 17 -> Taken from
16
WARNING: Missing ANGLE for MM in 17 -> Taken from
16
WARNING: Missing ELENB for MM in 18 -> Taken from
17
WARNING: Missing VDWNB for MM in 18 -> Taken from
17
WARNING: Missing ELE14 for MM in 19 -> Taken from
18
WARNING: Missing VDW14 for MM in 19 -> Taken from
18
WARNING: Missing VDWNB for MM in 19 -> Taken from
18
WARNING: Missing ANGLE for MM in 19 -> Taken from
18
Reading telo_lig.all.out
saurabh
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Received on Sun Jan 21 2007 - 06:07:24 PST
