Thanks for reply.
I have already done these (subsitution of #)got the same error:
> ########## Activate the 89 lines below: perl -p -i.old -e 's/\#\#\!\# //g'
script1.ff
> POP = loadmol2 ./tripos1.mol2
Could not open file ./tripos1.mol2: No such file or directory
I think directory from where I am running working should have tripos.mol2 file
fore adenosine, triphosphate.
Am I right? If it is so then from where I can get these tripos.mol2 file for
adenosine and triphosphate or I am interpreting something wrong.
Please help me to get ride of these confusion.
> Dear Sangita Kachhap,
>
>> I have not able run this command
>>
>> Shall I use link you have given in command line:
>> xleap -f
>> http://q4md-forcefieldtools.org/REDDB/projects/F-90/script1.ff
>
> I ask you to excuse me; presenting this command was a bad idea...
> This is just a project ;-)
>
>> or I have to run command:
>> xleap -f script1.ff
>
> Yes this is the command you have to run...
>
>> I have tried both fist one didnt run
>>
>> When try second, Its showing
>>
>>> POP = loadmol2 ./tripos1.mol2
>> Could not open file ./tripos1.mol2: No such file or directory
>
> Read the file script1.ff and you will see the following commands:
>
> ########## Activate the 89 lines below: perl -p -i.old -e
> 's/\#\#\!\# //g' script1.ff
> ########## Remove the 89 lines below: grep -v "to be replaced by the
> correct tripos" script1.ff > script1-new.ff
>
> these two commands have to be executed so that the mol2 file names
> generated by R.E.D. corresponds to these stored in R.E.DD.B.
>
> then xleap -f script1-new.ff
>
> regards, Francois
>
>
>
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>
With regards
Sangita Kachhap
SRF
BIC,IMTECH
CHANDIGARH
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Received on Tue Feb 28 2012 - 03:30:02 PST
