[gmx-users] gromacs error
Mehreen Jan
mehreen_jan1990 at yahoo.com
Mon Feb 1 07:12:39 CET 2016
how to run gromacs for protein protein interaction having phosphorylated at SER and THR.
error:
residue TPO not found in residue topology database
modification are done from the given web.
http://www.gromacs.org/Downloads/User_contributions/Force_fields
>make changes in .rtp file
make changes in .dat file
forcefield 43A1 is used.
command:
pdb2gmx -f protein.pdb -p protein.top -o protein.gro
error:
residue "TPO" not found in residue topology database
make changes in residuestypes.dat
fallowing are the changes make in .rtp file
; [ SEP ] [ TPO ] [ PTR ] -PO4^{-2} forms
; [ SEPH ] [ TPOH ] [ PTRH ] -PO4H^{-1} forms
[ SEP ]
[ atoms ]
N N -0.28000 0
H H 0.28000 0
CA CH1 0.00000 1
CB CH2 0.00000 2
OG OA -0.36000 2
P P 0.94000 2
O1P OP -0.86000 2
O2P OP -0.86000 2
O3P OP -0.86000 2
C C 0.380 3
O O -0.380 3
[ bonds ]
N H gb_2
N CA gb_20
CA C gb_26
C O gb_4
C +N gb_9
CA CB gb_26
CB OG gb_17
OG P gb_27
P O1P gb_23
P O2P gb_23
P O3P gb_23
[ angles ]
; ai aj ak gromos type
-C N H ga_31
H N CA ga_17
-C N CA ga_30
N CA C ga_12
CA C +N ga_18
CA C O ga_29
O C +N ga_32
N CA CB ga_12
C CA CB ga_12
CA CB OG ga_12
CB OG P ga_25
OG P O1P ga_13
OG P O2P ga_13
OG P O3P ga_13
O1P P O2P ga_28
O1P P O3P ga_28
O2P P O3P ga_28
[ impropers ]
; ai aj ak al gromos type
N -C CA H gi_1
C CA +N O gi_1
CA N C CB gi_2
[ dihedrals ]
; ai aj ak al gromos type
-CA -C N CA gd_4
-C N CA C gd_19
N CA C +N gd_20
N CA CB OG gd_17
CA CB OG P gd_14
CB OG P O1P gd_11
[ TPO ]
[ atoms ]
N N -0.28000 0
H H 0.28000 0
CA CH1 0.00000 1
CB CH1 0.00000 2
OG1 OA -0.36000 2
P P 0.94000 2
O1P OP -0.86000 2
O2P OP -0.86000 2
O3P OP -0.86000 2
CG2 CH3 0.00000 3
C C 0.380 4
O O -0.380 4
[ bonds ]
N H gb_2
N CA gb_20
CA C gb_26
C O gb_4
C +N gb_9
CA CB gb_26
CB OG1 gb_17
CB CG2 gb_26
OG1 P gb_27
P O1P gb_23
P O2P gb_23
P O3P gb_23
[ angles ]
; ai aj ak gromos type
-C N H ga_31
H N CA ga_17
-C N CA ga_30
N CA C ga_12
CA C +N ga_18
CA C O ga_29
O C +N ga_32
N CA CB ga_12
C CA CB ga_12
CA CB OG1 ga_12
CA CB CG2 ga_14
OG1 CB CG2 ga_14
CB OG1 P ga_25
OG1 P O1P ga_13
OG1 P O2P ga_13
OG1 P O3P ga_13
O1P P O2P ga_28
O1P P O3P ga_28
O2P P O3P ga_28
[ impropers ]
; ai aj ak al gromos type
N -C CA H gi_1
C CA +N O gi_1
CA N C CB gi_2
CB OG1 CG2 CA gi_2
[ dihedrals ]
; ai aj ak al gromos type
-CA -C N CA gd_4
-C N CA C gd_19
N CA C +N gd_20
N CA CB OG1 gd_17
CA CB OG1 P gd_14
CB OG1 P O1P gd_11
[ PTR ]
[ atoms ]
N N -0.28000 0
H H 0.28000 0
CA CH1 0.00000 1
CB CH2 0.00000 1
CG C 0.00000 1
CD1 C -0.10000 2
HD1 HC 0.10000 2
CD2 C -0.10000 3
HD2 HC 0.10000 3
CE1 C -0.10000 4
HE1 HC 0.10000 4
CE2 C -0.10000 5
HE2 HC 0.10000 5
CZ C 0.00000 6
OH OA -0.36000 6
P P 0.94000 6
O1P OP -0.86000 6
O2P OP -0.86000 6
O3P OP -0.86000 6
C C 0.380 7
O O -0.380 7
[ bonds ]
N H gb_2
N CA gb_20
CA C gb_26
C O gb_4
C +N gb_9
CA CB gb_26
CB CG gb_26
CG CD1 gb_15
CG CD2 gb_15
CD1 HD1 gb_3
CD1 CE1 gb_15
CD2 HD2 gb_3
CD2 CE2 gb_15
CE1 HE1 gb_3
CE1 CZ gb_15
CE2 HE2 gb_3
CE2 CZ gb_15
CZ OH gb_12
OH P gb_27
P O1P gb_23
P O2P gb_23
P O3P gb_23
[ exclusions ]
; ai aj
CB HD1
CB HD2
CB CE1
CB CE2
CG HE1
CG HE2
CG CZ
CD1 HD2
CD1 CE2
CD1 OH
HD1 CD2
HD1 HE1
HD1 CZ
CD2 CE1
CD2 OH
HD2 HE2
HD2 CZ
CE1 HE2
HE1 CE2
HE1 OH
HE2 OH
[ angles ]
; ai aj ak gromos type
-C N H ga_31
H N CA ga_17
-C N CA ga_30
N CA C ga_12
CA C +N ga_18
CA C O ga_29
O C +N ga_32
N CA CB ga_12
C CA CB ga_12
CA CB CG ga_14
CB CG CD1 ga_26
CB CG CD2 ga_26
CD1 CG CD2 ga_26
CG CD1 HD1 ga_24
HD1 CD1 CE1 ga_24
CG CD1 CE1 ga_26
CG CD2 HD2 ga_24
HD2 CD2 CE2 ga_24
CG CD2 CE2 ga_26
CD1 CE1 HE1 ga_24
HE1 CE1 CZ ga_24
CD1 CE1 CZ ga_26
CD2 CE2 HE2 ga_24
HE2 CE2 CZ ga_24
CD2 CE2 CZ ga_26
CE1 CZ CE2 ga_26
CE1 CZ OH ga_26
CE2 CZ OH ga_26
CZ OH P ga_25
OH P O1P ga_13
OH P O2P ga_13
OH P O3P ga_13
O1P P O2P ga_28
O1P P O3P ga_28
O2P P O3P ga_28
[ impropers ]
; ai aj ak al gromos type
N -C CA H gi_1
C CA +N O gi_1
CA N C CB gi_2
CG CD1 CD2 CB gi_1
CD2 CG CD1 CE1 gi_1
CD1 CG CD2 CE2 gi_1
CG CD1 CE1 CZ gi_1
CG CD2 CE2 CZ gi_1
CD1 CE1 CZ CE2 gi_1
CD2 CE2 CZ CE1 gi_1
CD1 CG CE1 HD1 gi_1
CD2 CG CE2 HD2 gi_1
CE1 CZ CD1 HE1 gi_1
CE2 CZ CD2 HE2 gi_1
CZ CE1 CE2 OH gi_1
[ dihedrals ]
; ai aj ak al gromos type
-CA -C N CA gd_4
-C N CA C gd_19
N CA C +N gd_20
N CA CB CG gd_17
CA CB CG CD1 gd_20
CE1 CZ OH P gd_14
CZ OH P O1P gd_11
; end
[ SEPH ]
[ atoms ]
N N -0.28000 0
H H 0.28000 0
CA CH1 0.00000 1
CB CH2 0.00000 2
OG OA -0.36000 2
P P 1.23000 2
O1P OP -0.86000 2
O2P OP -0.86000 2
O3P OA -0.54800 2
H3P H 0.39800 2
C C 0.380 3
O O -0.380 3
[ bonds ]
N H gb_2
N CA gb_20
CA C gb_26
C O gb_4
C +N gb_9
CA CB gb_26
CB OG gb_17
OG P gb_27
P O1P gb_23
P O2P gb_23
P O3P gb_23
O3P H3P gb_1
[ angles ]
; ai aj ak gromos type
-C N H ga_31
H N CA ga_17
-C N CA ga_30
N CA C ga_12
CA C +N ga_18
CA C O ga_29
O C +N ga_32
N CA CB ga_12
C CA CB ga_12
CA CB OG ga_12
CB OG P ga_25
OG P O1P ga_13
OG P O2P ga_13
OG P O3P ga_4
O1P P O2P ga_28
O1P P O3P ga_13
O2P P O3P ga_13
P O3P H3P ga_11
[ impropers ]
; ai aj ak al gromos type
N -C CA H gi_1
C CA +N O gi_1
CA N C CB gi_2
[ dihedrals ]
; ai aj ak al gromos type
-CA -C N CA gd_4
-C N CA C gd_19
N CA C +N gd_20
N CA CB OG gd_17
CA CB OG P gd_14
CB OG P O1P gd_11
OG P O3P H3P gd_11
[ TPOH ]
[ atoms ]
N N -0.28000 0
H H 0.28000 0
CA CH1 0.00000 1
CB CH1 0.00000 2
OG1 OA -0.36000 2
P P 1.23000 2
O1P OP -0.86000 2
O2P OP -0.86000 2
O3P OA -0.54800 2
H3P H 0.39800 2
CG2 CH3 0.00000 3
C C 0.380 4
O O -0.380 4
[ bonds ]
N H gb_2
N CA gb_20
CA C gb_26
C O gb_4
C +N gb_9
CA CB gb_26
CB OG1 gb_17
CB CG2 gb_26
OG1 P gb_27
P O1P gb_23
P O2P gb_23
P O3P gb_23
O3P H3P gb_1
[ angles ]
; ai aj ak gromos type
-C N H ga_31
H N CA ga_17
-C N CA ga_30
N CA C ga_12
CA C +N ga_18
CA C O ga_29
O C +N ga_32
N CA CB ga_12
C CA CB ga_12
CA CB OG1 ga_12
CA CB CG2 ga_14
OG1 CB CG2 ga_14
CB OG1 P ga_25
OG1 P O1P ga_13
OG1 P O2P ga_13
OG1 P O3P ga_4
O1P P O2P ga_28
O1P P O3P ga_13
O2P P O3P ga_13
P O3P H3P ga_11
[ impropers ]
; ai aj ak al gromos type
N -C CA H gi_1
C CA +N O gi_1
CA N C CB gi_2
CB OG1 CG2 CA gi_2
[ dihedrals ]
; ai aj ak al gromos type
-CA -C N CA gd_4
-C N CA C gd_19
N CA C +N gd_20
N CA CB OG1 gd_17
CA CB OG1 P gd_14
CB OG1 P O1P gd_11
OG1 P O3P H3P gd_11
[ PTRH ]
[ atoms ]
N N -0.28000 0
H H 0.28000 0
CA CH1 0.00000 1
CB CH2 0.00000 1
CG C 0.00000 1
CD1 C -0.10000 2
HD1 HC 0.10000 2
CD2 C -0.10000 3
HD2 HC 0.10000 3
CE1 C -0.10000 4
HE1 HC 0.10000 4
CE2 C -0.10000 5
HE2 HC 0.10000 5
CZ C 0.00000 6
OH OA -0.36000 6
P P 1.23000 6
O1P OP -0.86000 6
O2P OP -0.86000 6
O3P OA -0.54800 6
H3P H 0.39800 6
C C 0.380 7
O O -0.380 7
[ bonds ]
N H gb_2
N CA gb_20
CA C gb_26
C O gb_4
C +N gb_9
CA CB gb_26
CB CG gb_26
CG CD1 gb_15
CG CD2 gb_15
CD1 HD1 gb_3
CD1 CE1 gb_15
CD2 HD2 gb_3
CD2 CE2 gb_15
CE1 HE1 gb_3
CE1 CZ gb_15
CE2 HE2 gb_3
CE2 CZ gb_15
CZ OH gb_12
OH P gb_27
P O1P gb_23
P O2P gb_23
P O3P gb_23
O3P H3P gb_1
[ exclusions ]
; ai aj
CB HD1
CB HD2
CB CE1
CB CE2
CG HE1
CG HE2
CG CZ
CD1 HD2
CD1 CE2
CD1 OH
HD1 CD2
HD1 HE1
HD1 CZ
CD2 CE1
CD2 OH
HD2 HE2
HD2 CZ
CE1 HE2
HE1 CE2
HE1 OH
HE2 OH
[ angles ]
; ai aj ak gromos type
-C N H ga_31
H N CA ga_17
-C N CA ga_30
N CA C ga_12
CA C +N ga_18
CA C O ga_29
O C +N ga_32
N CA CB ga_12
C CA CB ga_12
CA CB CG ga_14
CB CG CD1 ga_26
CB CG CD2 ga_26
CD1 CG CD2 ga_26
CG CD1 HD1 ga_24
HD1 CD1 CE1 ga_24
CG CD1 CE1 ga_26
CG CD2 HD2 ga_24
HD2 CD2 CE2 ga_24
CG CD2 CE2 ga_26
CD1 CE1 HE1 ga_24
HE1 CE1 CZ ga_24
CD1 CE1 CZ ga_26
CD2 CE2 HE2 ga_24
HE2 CE2 CZ ga_24
CD2 CE2 CZ ga_26
CE1 CZ CE2 ga_26
CE1 CZ OH ga_26
CE2 CZ OH ga_26
CZ OH P ga_25
OH P O1P ga_13
OH P O2P ga_13
OH P O3P ga_4
O1P P O2P ga_13
O1P P O3P ga_13
O2P P O3P ga_28
P O3P H3P ga_11
[ impropers ]
; ai aj ak al gromos type
N -C CA H gi_1
C CA +N O gi_1
CA N C CB gi_2
CG CD1 CD2 CB gi_1
CD2 CG CD1 CE1 gi_1
CD1 CG CD2 CE2 gi_1
CG CD1 CE1 CZ gi_1
CG CD2 CE2 CZ gi_1
CD1 CE1 CZ CE2 gi_1
CD2 CE2 CZ CE1 gi_1
CD1 CG CE1 HD1 gi_1
CD2 CG CE2 HD2 gi_1
CE1 CZ CD1 HE1 gi_1
CE2 CZ CD2 HE2 gi_1
CZ CE1 CE2 OH gi_1
[ dihedrals ]
; ai aj ak al gromos type
-CA -C N CA gd_4
-C N CA C gd_19
N CA C +N gd_20
N CA CB CG gd_17
CA CB CG CD1 gd_20
CE1 CZ OH P gd_14
CZ OH P O1P gd_11
OH P O3P H3P gd_11
; end insert from pamac_hsn.rtp
--------------------------------------------
On Mon, 1/2/16, gromacs.org_gmx-users-request at maillist.sys.kth.se <gromacs.org_gmx-users-request at maillist.sys.kth.se> wrote:
Subject: gromacs.org_gmx-users Digest, Vol 142, Issue 1
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Today's Topics:
1. relative binding free energy
calculation Gromacs 5.0.5
(Stefania Evoli)
2. Re: relative binding free energy
calculation Gromacs 5.0.5
(hannes.loeffler at stfc.ac.uk)
3. gmx sasa (Eric Smoll)
4. Re: gmx sasa (Justin Lemkul)
5. g_count (vgsplayer1)
6. Re: g_count (Mark Abraham)
----------------------------------------------------------------------
Message: 1
Date: Sun, 31 Jan 2016 12:59:10 +0000
From: Stefania Evoli <stefania.evoli at kaust.edu.sa>
To: "gmx-users at gromacs.org"
<gmx-users at gromacs.org>
Subject: [gmx-users] relative binding free energy
calculation Gromacs
5.0.5
Message-ID: <D2D3DFC6.41F4%stefania.evoli at kaust.edu.sa>
Content-Type: text/plain; charset="Windows-1252"
Dear users,
I?m performing relative binding free energy calculation in
Gromacs 5.0.5. In the mdp files I?m using the following
section
free-energy
= yes
init_lambda_state = LAMBDA
fep_lambdas
= 0.0 0.25 0.5 0.75 1.0 1.00 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
vdw_lambdas
= 0.0 0.00 0.0 0.00 0.0 0.05 0.1 0.2 0.3 0.4 0.5 0.6 0.65
0.7 0.75 0.8 0.85 0.9 0.95 1.0
;couple-moltype
= LIG
;couple-lambda0
= vdw-q
;couple-lambda1
= none
;couple-intramol = no
sc-alpha
= 0.5
sc-sigma
= 0.3
sc-power
= 1.0
sc-r-power
= 6
sc-coul
= no
nstdhdl
= 100
calc-lambda-neighbors = -1
And I obtained the following values
0 -- 1 16.498 +-
0.147 16.458 +-
0.173 18.142 +-
0.465 13.644 +-
0.351 16.264 +-
0.411 16.264 +- 0.413
1 -- 2
7.086 +- 0.143
6.982 +- 0.159
10.223 +- 0.246
4.168 +- 0.299
6.971 +- 0.341 6.971
+- 0.454
2 -- 3
-1.954 +- 0.114
-1.685 +- 0.129
-1.043 +- 0.574
-3.884 +- 0.392
-1.883 +- 0.356
-1.883 +- 0.356
3 -- 4
-13.604 +- 0.139
-13.271 +- 0.145 -10.960
+- 0.574 -18.048 +-
0.234 -14.286 +- 0.601
-13.222 +- 0.167
4 -- 5
0.089 +- 0.003
0.093 +- 0.003
0.079 +- 0.005 0.099
+- 0.003 0.091 +-
0.003 0.085 +- 0.000
5 -- 6
0.078 +- 0.004
0.079 +- 0.004
0.094 +- 0.003 0.062
+- 0.008 0.087 +-
0.003 0.080 +- 0.000
6 -- 7
0.141 +- 0.008
0.130 +- 0.011
0.110 +- 0.017 0.170
+- 0.001 0.170 +-
0.001 0.143 +- 0.001
7 -- 8
0.123 +- 0.005
0.131 +- 0.006
0.155 +- 0.001 0.096
+- 0.011 0.154 +-
0.001 0.121 +- 0.001
8 -- 9
0.063 +- 0.005
0.063 +- 0.006
0.071 +- 0.011 0.056
+- 0.001 0.056 +-
0.001 0.095 +- 0.001
9 -- 10
0.012 +- 0.004 0.002
+- 0.005 0.028 +-
0.001 -0.004 +-
0.008 0.028 +- 0.001
0.065 +- 0.001
10 -- 11 0.019
+- 0.008 0.030 +-
0.011 -0.036 +-
0.009 0.084 +- 0.011
0.007 +- 0.007
0.027 +- 0.001
11 -- 12 0.016
+- 0.006 0.013 +-
0.007 0.019 +- 0.008
0.008 +- 0.009
0.018 +- 0.006
-0.004 +- 0.000
12 -- 13 0.012
+- 0.007 0.015 +-
0.008 -0.004 +-
0.010 0.028 +- 0.009
0.012 +- 0.007
-0.018 +- 0.000
13 -- 14 -0.011
+- 0.008 -0.010 +-
0.009 0.015 +- 0.011
-0.034 +- 0.010
-0.011 +- 0.008
-0.034 +- 0.000
14 -- 15 -0.049
+- 0.006 -0.049 +-
0.007 -0.055 +-
0.014 -0.044 +-
0.001 -0.044 +-
0.001 -0.054 +- 0.000
15 -- 16 -0.085
+- 0.003 -0.086 +-
0.004 -0.065 +-
0.001 -0.104 +-
0.005 -0.066 +-
0.001 -0.078 +- 0.001
16 -- 17 -0.116
+- 0.009 -0.116 +-
0.010 -0.132 +-
0.006 -0.100 +-
0.016 -0.129 +-
0.006 -0.109 +- 0.001
17 -- 18 -0.150
+- 0.009 -0.145 +-
0.010 -0.129 +-
0.018 -0.159 +-
0.001 -0.159 +-
0.001 -0.151 +- 0.001
18 -- 19 -0.218
+- 0.005 -0.220 +-
0.005 -0.219 +-
0.002 -0.218 +-
0.008 -0.219 +-
0.002 -0.211 +- 0.001
It is clear the instability of the first four lambda values.
Can someone suggest me a way to avoid it? I?m trying to use
different sc-alpha, sc-power and sc-r-power. Any
suggestion?
Thank you,
Stefania
?
Dr. Stefania Evoli
Post-Doctoral Fellow
King Abdullah University of Science and Technology
Catalysis center - Bldg. 3, 4th floor, 4231?WS18
Thuwal, Kingdom of Saudi Arabia
stefania.evoli at kaust.edu.sa
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------------------------------
Message: 2
Date: Sun, 31 Jan 2016 15:13:36 +0000
From: <hannes.loeffler at stfc.ac.uk>
To: <gmx-users at gromacs.org>
Subject: Re: [gmx-users] relative binding free energy
calculation
Gromacs 5.0.5
Message-ID:
<5FF52965BBB9CB46930C7E5D323EC021E6C99BB1 at EXCHMBX01.fed.cclrc.ac.uk>
Content-Type: text/plain; charset="Windows-1252"
What do you mean by "instability"? You also don't
quite say what these values mean but I guess they are the
estimates of the free energy per each window as computed by
different methods(?). These values come obviously from
the (linear) electrostatic transformation so playing with
softcore parameters won't make any difference.
If you are concerned by their magnitudes you can always
introduce additional lambda points. BTW, you may want
to keep the mass-lambdas at their initial values (see
mailing list archive for details).
________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se
[gromacs.org_gmx-users-bounces at maillist.sys.kth.se]
on behalf of Stefania Evoli [stefania.evoli at kaust.edu.sa]
Sent: 31 January 2016 12:59
To: gmx-users at gromacs.org
Subject: [gmx-users] relative binding free energy
calculation Gromacs 5.0.5
Dear users,
I?m performing relative binding free energy calculation in
Gromacs 5.0.5. In the mdp files I?m using the following
section
free-energy
= yes
init_lambda_state = LAMBDA
fep_lambdas
= 0.0 0.25 0.5 0.75 1.0 1.00 1.0 1.0 1.0 1.0 1.0 1.0
1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
vdw_lambdas
= 0.0 0.00 0.0 0.00 0.0 0.05 0.1 0.2 0.3 0.4 0.5 0.6 0.65
0.7 0.75 0.8 0.85 0.9 0.95 1.0
;couple-moltype
= LIG
;couple-lambda0
= vdw-q
;couple-lambda1
= none
;couple-intramol = no
sc-alpha
= 0.5
sc-sigma
= 0.3
sc-power
= 1.0
sc-r-power
= 6
sc-coul
= no
nstdhdl
= 100
calc-lambda-neighbors = -1
And I obtained the following values
0 -- 1 16.498 +-
0.147 16.458 +-
0.173 18.142 +-
0.465 13.644 +-
0.351 16.264 +-
0.411 16.264 +- 0.413
1 -- 2
7.086 +- 0.143
6.982 +- 0.159
10.223 +- 0.246
4.168 +- 0.299
6.971 +- 0.341 6.971
+- 0.454
2 -- 3
-1.954 +- 0.114
-1.685 +- 0.129
-1.043 +- 0.574
-3.884 +- 0.392
-1.883 +- 0.356
-1.883 +- 0.356
3 -- 4
-13.604 +- 0.139
-13.271 +- 0.145 -10.960
+- 0.574 -18.048 +-
0.234 -14.286 +- 0.601
-13.222 +- 0.167
4 -- 5
0.089 +- 0.003
0.093 +- 0.003
0.079 +- 0.005 0.099
+- 0.003 0.091 +-
0.003 0.085 +- 0.000
5 -- 6
0.078 +- 0.004
0.079 +- 0.004
0.094 +- 0.003 0.062
+- 0.008 0.087 +-
0.003 0.080 +- 0.000
6 -- 7
0.141 +- 0.008
0.130 +- 0.011
0.110 +- 0.017 0.170
+- 0.001 0.170 +-
0.001 0.143 +- 0.001
7 -- 8
0.123 +- 0.005
0.131 +- 0.006
0.155 +- 0.001 0.096
+- 0.011 0.154 +-
0.001 0.121 +- 0.001
8 -- 9
0.063 +- 0.005
0.063 +- 0.006
0.071 +- 0.011 0.056
+- 0.001 0.056 +-
0.001 0.095 +- 0.001
9 -- 10
0.012 +- 0.004 0.002
+- 0.005 0.028 +-
0.001 -0.004 +-
0.008 0.028 +- 0.001
0.065 +- 0.001
10 -- 11 0.019
+- 0.008 0.030 +-
0.011 -0.036 +-
0.009 0.084 +- 0.011
0.007 +- 0.007
0.027 +- 0.001
11 -- 12 0.016
+- 0.006 0.013 +-
0.007 0.019 +- 0.008
0.008 +- 0.009
0.018 +- 0.006
-0.004 +- 0.000
12 -- 13 0.012
+- 0.007 0.015 +-
0.008 -0.004 +-
0.010 0.028 +- 0.009
0.012 +- 0.007
-0.018 +- 0.000
13 -- 14 -0.011
+- 0.008 -0.010 +-
0.009 0.015 +- 0.011
-0.034 +- 0.010
-0.011 +- 0.008
-0.034 +- 0.000
14 -- 15 -0.049
+- 0.006 -0.049 +-
0.007 -0.055 +-
0.014 -0.044 +-
0.001 -0.044 +-
0.001 -0.054 +- 0.000
15 -- 16 -0.085
+- 0.003 -0.086 +-
0.004 -0.065 +-
0.001 -0.104 +-
0.005 -0.066 +-
0.001 -0.078 +- 0.001
16 -- 17 -0.116
+- 0.009 -0.116 +-
0.010 -0.132 +-
0.006 -0.100 +-
0.016 -0.129 +-
0.006 -0.109 +- 0.001
17 -- 18 -0.150
+- 0.009 -0.145 +-
0.010 -0.129 +-
0.018 -0.159 +-
0.001 -0.159 +-
0.001 -0.151 +- 0.001
18 -- 19 -0.218
+- 0.005 -0.220 +-
0.005 -0.219 +-
0.002 -0.218 +-
0.008 -0.219 +-
0.002 -0.211 +- 0.001
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