[AMBER] nmode error

From: xuemeiwang1103 <xuemeiwang1103.163.com>
Date: Wed, 17 Nov 2010 20:37:20 +0800 (CST)

Dear All :
       I try to use nmode to calculate entropy.But I got the following error message:
             PARM file has the title
Total memory required : 1163578999 real words
Total memory required : 43660952 integer words
Total memory required : 28430 4-character words
Maximum nonbond pairs 43073120
ASSERTion ' ier == 0 ' failed in nmode.f at line 106.
    I checked the maling list and got the ideal that the memory is not enough for my system (about 8000 atoms). In order to solve this ,I want to truncate the protein to contain only residues within 8A of the ligand.There is a paper which sugest me to use the changepdb command ,but I didn't find the comand in the Amber procedure.Could someone give me some ideals about this ? Thanks !
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Received on Wed Nov 17 2010 - 05:00:03 PST
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