[gmx-users] Re: consultation on coarse grain method

Yang Ye leafyoung81-group at yahoo.com
Sat Mar 24 16:29:19 CET 2007


I guessed that you were using a windows-based editor to make the 
grompp.mdp. The addition new line character (invisible) causing Gromacs' 
problem. Please use command-like dos2unix to convert the file or rather 
re-type it in Linux-based text editor. If Vim is difficult to use, try 

Yang Ye

秦姗姗 wrote:
> Hello ,Yang He
>     My inputfiles are in the attachment.Would you please help me out?
>     Thanks a lot.
> Yours 
>    sincerely
>                                                                        Shanshan Qin
>> -----Original Message-----
>> From: "=?gb2312?b?x9jmqeap?="<sansanqin00 at mails.tsinghua.edu.cn>
>> Date: Sat, 24 Mar 2007 17:15:01 +0800 (CST)
>> To: spoel at xray.bmc.uu.se
>> Subject: consultation on coarse grain method
>> Professor Spoel:
>>      I am a Gromacs self-learner.I tried to do some coarse grain simulation,however it failed.The system always echo""Fatal error: number of coordinates in coordinate file (conf.gro, 12032) does not match topology (topol.top, 0)".Today I post my inputfiles to the Gromacs Mailinglist,however they were held because files are too big. I saw your name on the mailing list,and thought you may be willing to answer my question. Maybe it is only a simple question for you, however I can't find out what the problem is. Now I put all the input files in the attachment.
>>     The CG forcefield and dppc conf.gro were downloaded from S.J. Marrink's website.Looking forward to your reply.
>>                                                                           Yours sincerely
>>                                                                                   Shanshan Qin

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