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  • /home/wjallen/local/ ./configure --prefix=/home/wjallen/local/fftw-3.2.2-double --enable-threads --with-pic
    4 KB (570 words) - 14:59, 31 May 2013
  • /home/wjallen/AMS536/local/dock6/ /home/wjallen/AMS536/local/dock6/parameters/vdw_AMBER_parm99.def
    33 KB (4,293 words) - 16:26, 14 January 2015
  • /home/wjallen/AMS536/local/amber12/bin/antechamber /home/wjallen/AMS536/local/amber12/bin/parmchk
    36 KB (5,444 words) - 15:54, 6 January 2015
  • ...nd files HIVPR.ligands.005.mol2 and HIVPR.ligands.100.mol2 are copied from Wjallen. Since most parameters of dock.in and new virtual screening input are the s cp ~wjallen/AMS536/multi-mol2/files/HIVPR.ligands.005.mol2 ./
    40 KB (4,687 words) - 17:05, 17 December 2014
  • /nfs/user03/wjallen/local/amber12/bin/antechamber /nfs/user03/wjallen/local/amber12/bin/parmchk
    33 KB (5,066 words) - 20:14, 23 April 2014
  • /sbhome1/wjallen/work/build/dock.6.7_2015-02-17.denovo_paper/src/dock/dock6 /sbhome1/wjallen/work/de-novo-test/gen-frags-12
    20 KB (2,576 words) - 12:37, 20 June 2017
  • | <center>dn paper-2017, BFochtman, WJAllen</center> | <center>dn paper-2017, BFochtman, WJAllen</center>
    3 KB (352 words) - 08:54, 26 April 2018
  • | <center>dn paper-2017, BFochtman, WJAllen</center> | <center>dn paper-2017, BFochtman, WJAllen</center>
    3 KB (352 words) - 12:06, 4 February 2019