[gmx-users] Re: questions of afm pulling code

Jian Zou zouj01 at mails.tsinghua.edu.cn
Fri Dec 10 03:30:03 CET 2004


Hi David and Berk, and Ms. Meyer,

Sorry to bother you.

> It is indeed nm/ps.
> Why do you think the pulling is too fast?
I missed a sign for afm_init1, therefore the init force of the spring may be 
2*k*afm_init.
I think this should be the cause for my problem.

> I have fixed a bug with absolute coordinates for umbrella sampling.
> This fix probably also solves your problem.
> Please try the CVS version.
I heard a lot about this CVS version. What is the difference between the CVS 
version and gmx-3.2.1? bug fix or new functions? And where can I download 
this CVS version?

Thank you all for your help!

Regards,

Jian Zou




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