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Sample scripts for basic tasks in CHARMM
(
1
2
all
)
by
lennart
26
24604
10/22/09
01:12 AM
by
lennart
Controling White Space
by
hlwood
3
6256
03/04/05
01:24 PM
by
hlwood
Transit from all27ff to all36ff and adjust MASS ID
by
blubbi
6
119
08/26/10
04:45 AM
by
blubbi
sed script for c27 to c36 conversion of DOPC/POPC
by
rmv
0
31
08/11/10
02:07 PM
by
rmv
extracting property time series from output logs
by
rmv
8
5015
05/31/10
03:35 PM
by
JohnPenniston
ion addition by selective water replacement
by
rmv
6
5011
04/02/10
01:33 PM
by
rmv
rmsd-residue.str
by
lennart
9
5619
03/26/10
06:09 PM
by
lennart
Widom insertion script from Ed O'Brien
by
lennart
0
199
03/04/10
05:36 AM
by
lennart
make RHDO via spherical cut from a box
by
rmv
8
4202
02/25/10
12:15 AM
by
Kellen
born atomic radii for both protein & nucleic acid
by
Zhiguo
0
325
11/16/09
11:29 PM
by
Zhiguo
bulk dielectric constant from a simulation
by
rmv
20
9484
10/09/09
12:47 PM
by
rmv
run-sdb-md.inp
by
lennart
17
5476
10/02/09
04:37 PM
by
lennart
Syntax highlighting for CHARMM in vim editor
by
malevanets
5
3294
09/01/09
12:02 AM
by
malevanets
interaction-energy.inp
(
1
2
all
)
by
lennart
32
17186
08/25/09
02:15 PM
by
lennart
applying crystal symmetry
by
rmv
3
1133
08/18/09
03:35 PM
by
farid
UNIVersal coord reader examples
by
rmv
1
678
06/13/09
12:30 PM
by
rmv
CHARMM and csh scripts for extended MD simulations
by
rmv
3
1080
06/12/09
09:15 PM
by
rmv
Per-residue decomposition of MM-GBSA free energy
by
sumit
0
519
05/25/09
12:13 AM
by
sumit
merging multiple pdb files
by
RaduT
1
1251
04/08/09
05:46 PM
by
rmv
solvent-box.str
by
lennart
14
9814
03/24/09
11:00 AM
by
nqn
asa-protein.str
by
lennart
6
3749
03/18/09
09:55 AM
by
lennart
electron density profiles via COOR HIST Z
by
rmv
21
8820
02/12/09
05:06 PM
by
rmv
CORREL: principal inertial axis reorientation
by
rmv
10
4997
02/03/09
02:35 PM
by
rmv
script to convert Amber top file to charmm top file
by
moghaddam
0
750
01/29/09
04:04 PM
by
moghaddam
computing diffusion using molecular center of mass and CORFUN DIFF
by
rmv
2
1763
01/20/09
11:35 AM
by
rmv
P-N vector orientation
by
rmv
5
1984
01/06/09
04:09 PM
by
beginner
filling a box by placing molecules on a grid
by
rmv
2
1333
12/24/08
11:30 AM
by
rmv
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