Hi,
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
nano.
Regards,
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?="<[EMAIL PROTECTED]>
Date: Sat, 24 Mar 2007 17:15:01 +0800 (CST)
To: [EMAIL PROTECTED]
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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