[AMBER] cpptraj molsurf error

From: anu chandra <anu80125.gmail.com>
Date: Wed, 27 Jan 2016 12:23:06 +0000

Hello Amber users,

The molsurf calculation with simulation trajectories failed with the
following error messages.

make_cones() MAXTOR_PROBE exceeded
make_cones() MAXTOR_PROBE exceeded
terminate called after throwing an instance of 'std::length_error'
  what(): vector::_M_fill_insert
Aborted (core dumped)

I have used the following input parameters for the calculation. I am using
AmberTools 15.

trajin ../20md.nc


molsurf s1 :7-450 out s1_SASA.dat probe 1.4

molsurf s2 :7-213 out s2_SASA.dat probe 1.4

molsurf s3 :214-450 out s3_SASA.dat probe 1.4

Any suggestions would be very much appreciated

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Received on Wed Jan 27 2016 - 04:30:03 PST
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