Dear Amber users,
Thanks for your help all the time. Now I came across a new problem: I want to restraint all the backbone of the protein, while the side chain of the residues in the binding site can be flexible. I just want to refine the binding modes of my ligand using less time and other purpose. Can anyone give me some suggestions?
I have try many times, but it still does not work well. I find it cannot work for my two purposes together.
###
ntr=1, restraintmask=':1-420.CA',
/
Hold the DNA fixed
500.0
RES 1 92
RES 94-183
RES 185 185
RES 187 187
RES 189 189
RES 192 192
RES 194 194
RES 196 196
RES 198 243
RES 245 245
RES 247 247
RES 249 264
RES 266 266
RES 268 268
RES 270 285
RES 288 288
RES 290 315
RES 317 318
RES 320 320
RES 322 324
RES 326 373
RES 375 375
RES 377 420
END
END
###
I am appreciated for your help!
Rilei Yu
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Received on Thu Apr 01 2010 - 19:30:05 PDT
