On 7/18/13 8:04 AM, Rasoul Nasiri wrote:
Justin,
I just ran this calculations on "VERSION 4.6-GPU-dev-20120501-ec56c" and I
will let you know about the outcomes.
The outcome of 4.6.3 would be more interesting than an outdated development
version.
-Justin
Rasoul
On Thu, Jul 18, 2013 at 1:09 PM, Rasoul Nasiri <nasiri1...@gmail.com> wrote:
Bellow are commands and error message:
1- trjconv_d -f traj.xtc -n maxclust.ndx -o traj_out.xtc
2- g_sas_d -f traj_out.xtc -n maxclust.ndx -o surface.xvg -nopbc
glibc detected *** g_sas_d: malloc(): memory corruption:
0x00000000016dfcd0
Rasoul
On Thu, Jul 18, 2013 at 1:01 PM, Justin Lemkul <jalem...@vt.edu> wrote:
On 7/18/13 6:52 AM, Rasoul Nasiri wrote:
Hello all,
I'm trying to know how the surface area of a nano-drop changes during the
evaporation in the vacuum.
When I filter the trajectory of non-evaporated molecules by trjconv and
use
g_sas for calculation of their surface, it usually crash (I'm using
version
of 4.5.5).
What's the error message? What's your command?
Is there still this issue in the 4.6.*? How it can be resolved?
Have you tried version 4.6? That's the quickest way to know. If there
are still problems, you'll need to provide more information.
-Justin
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University of Maryland, Baltimore
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jalem...@outerbanks.umaryland.edu | (410) 706-7441
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