AMBER Archive (2009)

Subject: [AMBER] Writing out trajectory in NAB

From: xxxzzzyyy xxxzzzyyy (
Date: Mon Jan 12 2009 - 10:43:33 CST

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

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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