Dear AMBER users,
I am new to NAB program, and would like it to
write a trajectory (I believe its binpos format). I have used the
following syntax so far, but do not see any trajectory written. Please
help.
Thanks
Xia Yu
Partial file:
file coor;
mm_options( "cut=999., nsnb=99999, ntpr=10, diel=C, gb=5, gbsa=1" );
mme_init( ligand, NULL, "::Z", x, coor );
mm_options( "tautp=0.4, temp0=100.0, ntpr_md=10, tempi=50., ntwx=10" );
md( 3*ligand.natoms, 1000, x, f, v, mme );
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Received on Wed Jan 14 2009 - 01:11:48 PST
