Re: [AMBER] nmode error

From: xuemeiwang1103 <>
Date: Thu, 18 Nov 2010 19:43:23 +0800 (CST)

I have got the answer ,we can do this by using Pymol : )
At 2010-11-17 20:37:20£¬xuemeiwang1103 <> wrote:
>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 Thu Nov 18 2010 - 04:00:02 PST
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