> On 4/15/05, Xin Hu <hux.mail.rockefeller.edu> wrote:
>> >
>> > A snapshot was taken every 2ps for binding energy calculation
>> > (according to Tutorial_03). Here is the statistics.out.
>> >
>>
>> Hi Eric,
>> I am a newer of MM_PBSA. What's the tutorial_03?
>
> /amber8/src/mm_pbsa/Examples/03_MMPBSA_Binding/
>
Hi Eric,
Thanks for your help.
I tested these examples before. One question about the input parameter in
/amber8/src/mm_pbsa/Examples/mm_pbsa.in, should I just use all the defacult
parameters for my own project, such as the GB parameters, the MAXCYC=10000
and DRMS=0.0001 for NM, the CHARGE (my_amber94_delphi.crg) and SIZE
(my_parse_delphi.siz) for the PB delphi (PROC=1), etc? I am not sure whether
these parameters are specifically used by Dr. Gohlke for the Ras_Raf work,
or they are generally optimized and applicable to other works?
Thanks,
Xin
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri Apr 15 2005 - 21:53:00 PDT
