geninput.pl

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Examples

geninput.pl
generates the default MONSSTER input file

520735 20 50 10
0 0
2.50 1.00 4.000 0.250
1.250 1.000 0.350 -0.300 0.500
1.000 0.500 0.250
0 0.0
0
0
0
0

geninput.pl -par ncycle=50,stiff=0.1 -d 5.0 10:34=19:26
generates a MONSSTER input file iwth 50 cycles per time step and a modified scaling factor for the general stiffness potential term. In addition sidechain restraints are specified between residues 10 and 34 as well as 19 and 26.

657610 50 50 10
0 0
2.50 1.00 4.000 0.250
0.100 1.000 0.350 -0.300 0.500
1.000 0.500 0.250
2 5.000000
10 34
19 26
0
0

...