Re: [gmx-users] why the backbone can be broken during MD process

2006-09-14 Thread Mark Abraham

Fan, Fenghui wrote:

Dear all,

Will you please tell me why the backbone can be broken during MD process and 
how can we fix them?


It can only be broken if you haven't defined it to be whole, or have 
done something mind-numbingly hideous elsewhere :-) Check your .top file


Mark
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Re: [gmx-users] why the backbone can be broken during MD process

2006-09-14 Thread David van der Spoel

Fan, Fenghui wrote:

Dear all,

Will you please tell me why the backbone can be broken during MD process and 
how can we fix them?

I am looking forward to getting your reply.


it can not.

please be more specific.


Best regards.

Fenghui Fan
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--
David.

David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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phone:  46 18 471 4205  fax: 46 18 511 755
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[gmx-users] why the backbone can be broken during MD process

2006-09-14 Thread Fan, Fenghui

Dear all,

Will you please tell me why the backbone can be broken during MD process and 
how can we fix them?

I am looking forward to getting your reply.

Best regards.

Fenghui Fan
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