Hi Jitin,
Thanks for the reply. I would like to tell ypou that the output file is
reading the restraints quite well, Here is the part of the output:
LOADING THE CONSTRAINED ATOMS AS GROUPS
5. REFERENCE ATOM COORDINATES
----- READING GROUP 1; TITLE:
Group input for restrained atoms (A1-A166)
GROUP 1 HAS HARMONIC CONSTRAINTS 2.00000
GRP 1 RES 1 TO 167
Number of atoms in this group = 2618
----- READING GROUP 2; TITLE:
Group input for restrained atoms (A182-A276)
GROUP 2 HAS HARMONIC CONSTRAINTS 2.00000
GRP 2 RES 182 TO 276
Number of atoms in this group = 1494
----- END OF GROUP READ -----
But in contrary to what others say, when i kept the group information at
the end it did not read it correctly.
Do you have any suggestions regarding my next mail abou the grid size??
With regards,
Anshul Awasthi
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Received on Thu Jun 03 2004 - 07:53:01 PDT
