Dear Xuemei,
Please download the latest version of sietraj (uploaded today) from
http://www2.bri.nrc.ca/ccb/pub/bugfixes.php. I believe this may fix the
problem you encountered.
Enrico
On 10-12-31 9:11 AM, "xuemeiwang1103" <xuemeiwang1103.163.com> wrote:
>Dear All:
> Recently,I downloaded the "sietraj" in Amber homepage and I run the
>examples with everything running ok.But when I tried to apply this
>procedure to my system,the error happens.I have created new trajectory
>file with the water and Na ions stripped ,the Nobox option also used.
> The errors :
> /home/Brimm/bin/sietraj -pt ./00_param/AcdjjNap.prmtop
>-trj eq.trj -sf 10 -ef 2000 -inc 50 -tr 1-126 -lr 127-156 -o bind -sie
>Loaded Britcl-v2.1j.so
>Britcl_functions.tcl,v 1.9 2007/11/28
>10 -6.401 10.703 -50.504 -32.300 -28.907 -25.401 -15.167 -283.290
>*** glibc detected *** free(): invalid next size (fast): 0x09a9cb90 ***
>Aborted
> Even I changed the number of the first snapshot ,the error still
>happens,the result only include one frame ,it seems the cycles doesn't
>work. Could someone tell me the reason ? Thank you very much!
>
>
>
>
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Received on Fri Jan 07 2011 - 13:30:02 PST
