Re: [AMBER] about the Sietraj

From: xuemeiwang1103 <xuemeiwang1103.163.com>
Date: Wed, 5 Jan 2011 21:03:17 +0800 (CST)

Dear Dr.Cui
       Happy new year
       The prmtop and trj fiels are in the attachment, thank you very much !




At 2011-01-01 08:48:38"Qizhi Cui" <qizhi.cui.bri.nrc.ca> wrote:

>Hello Xuemei,
>
>Can you send me your prmtop and trj files? I will take a look.
>
>Qizhi
>
>
>Quoting xuemeiwang1103 <xuemeiwang1103.163.com>:
>
>> 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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>>
>
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Received on Wed Jan 05 2011 - 05:30:03 PST
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