Dear Prof. Case,
Thanks very much for your suggestion on this problem. I have also asked some other guys on the forum for help. Someone told me that it might be because of some errors of the atom types, and it was solved. Thank Prof. Case again, next time I will give more detailed information when asking for help.
All the best,
qinghua
At 2011-04-13，"David A Case" <case.biomaps.rutgers.edu> wrote:
>On Wed, Apr 13, 2011, fancy2012 wrote:
>
>> The commands I give to
>> tleap were just common commands, like loadmol2, loadamberparams and
>> saveamberparm and savepdb. For the small molecule, I only load the
>> file and extra parameters
>
>What is "the file"? What are the "extra parameters"? If you are not willing
>to tell us what you really did, you will have to debug it yourself. What you
>describe is not the usual behavior, so no one will be able to help without
>details. Please read again what I said in my previous email:
>
>> >Leap only adds atoms to a unit if they are present in
>> >the library file but missing in the input pdb (or similar) file.
>
>....dac
>
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Received on Mon Apr 18 2011 - 23:30:05 PDT
