Dear David A. Case,
Thanks so much for your help.
And about the problem I meet[bad atom type in md run(igb=2)], I finally get it through:
Under the unfixed amber7(bugfix.7), I replaced "h, n, c" to "H,N,C"， and then it is run normally.
I'still can't get it run under the fixed amber7(bugfix.7). No error find in the out file. I'm really puzzle about it.
===== 2005-06-15 08:09:00 =======
>On Wed, Jun 15, 2005, alice wrote:
>>
>> I use sander in amber7, and found the error "bad atom type: ca", I look up
>> the mailling list and fix the amber7 with bugfix.7.
>> and no "bad atom type: ca" error, but new error is "bad atom type: H".
>
>First, be sure that your system works when gbsa=0. That will help see if
>there are any other problems in the setup.
>
>According to the logic in mdread.f, the error above should not be able to
>occur: the program only prints "bad atom type" after it has checked to see
>if it is begins with "H". There may some memory overrun, but I would ask you
>to double check that you have reported the *exact* error message.
>
>....dac
>
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致
礼！
alice
alicew616.citiz.net
2005-06-16
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Received on Thu Jun 16 2005 - 03:53:00 PDT
