[AMBER] about the Sietraj

From: xuemeiwang1103 <xuemeiwang1103.163.com>
Date: Mon, 27 Dec 2010 14:22:44 +0800 (CST)

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 ***
    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 Sun Dec 26 2010 - 22:30:02 PST
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