yes, use "tleap -f <filename>"
On Thu, 3 Oct 2002, Wiktor Jurkowski wrote:
>
>Dear Amber users,
>
>Sorry for my basic question:
>It,s possible to load tleap comands from file, insted to use tleap
>comand line?
>
>I've tried:
>
>borsuk 15% tleap<wsad1
>
>and I got:
>
>*** Error: getline(): not interactive, use stdio
>
>If I understood it corectly I should use standard input, but I would
>like to avoid typing hundred of commands.
>
>Thanks in advance for any piece of advice
>
>Wiktor
>
>thenmalar rathinavelan wrote:
>> Dear Amber users,
>>
>> I have a few doubts regarding the example given in
>> directory amber6/examples/resp_charge_fit/adenine
>>
>> They are:
>>
>> (i) It seems that number of atoms for adenine is
>> lesser than the usual situation (given-26). It
>> will be very nice if the pdb file is provided for
>> that.
>>
>> (ii) in ade_1st.in file, I am not able to understand
>> the line below:
>>
>> 1 16 1 17 1 18 1 19 1 20 1
>> 23 1 24 1 25
>> 1 26 2 20 2 24 2 25 2 26
>>
>> I like to know why particularly atom numbers
>> 16,17,18,19,20,23,24,25,26 of mol1 & 20,24,25,26
>> of mol2 alone is choosen for the constraint.
>>
>> (iii) in ade_2st.in file the following constraints are
>> given:
>> 6 0
>> 1 22
>> These constraints corresponds to which carbon and
>> hydrogen atom? & what is the basis for choosing
>> ivary as 0 & 22 for this two atoms alone. In the same
>> input itself all the other ivary is choosen to be -1,
>> while it is 0 in stage 1 fitting.
>>
>> I am very much thanful to those who can clarify my
>> doubts.
>>
>> Thenmalar
>>
>>
>>
>>
>>
>> ________________________________________________________________________
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>>
>
>
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Received on Thu Oct 03 2002 - 09:35:26 PDT
