[gmx-users] Re: consultation on coarse grain method
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
> Hello ,Yang He
> My inputfiles are in the attachment.Would you please help me out?
> Thanks a lot.
> 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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