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--- > 196 H5'1 DA 7 0.14 0.63 0.96 377c377 < 512 H5'1 DA 17 0.13 0.62 0.98 --- > 512 H5'1 DA 17 0.13 0.63 0.98 --------------------------------------- possible FAILURE: check stem.dip.o.dif /root/Desktop/Amber10/amber10/test/pcsa --------------------------------------- possible FAILURE: check output_addles.dif /root/Desktop/Amber10/amber10/test/LES --------------------------------------- possible FAILURE: check LES.prmtop.dif /root/Desktop/Amber10/amber10/test/LES --------------------------------------- possible FAILURE: check addles.out.dif /root/Desktop/Amber10/amber10/test/PIMD/part_pimd_water --------------------------------------- possible FAILURE: check addles.out.dif /root/Desktop/Amber10/amber10/test/ti_mass/pent_LES_PIMD --------------------------------------- possible FAILURE: check amoeba_jac.mdout.dif /root/Desktop/Amber10/amber10/test/amoeba_jac With reference to Amber manual i gone through this path /root/Desktop/Amber10/amber10/test/rdc and see in the:- check gcg.dip.o.dif files from this directory.but there is same number present as like that of TEST_FAILURE.diff files. So i donot understand what is the problem. One thing another is, after writing basic examles( editing pdb file,topological parameter for give examlpes) and save as prmcrd as file name in leap from path given below /root/Desktop/Amber10/amber10/src/leap After that i run commands 'Running Minimization for BPTI' error is -bash:Running command is not found. I running this commands even after the occurence of POSSIBLE FAILURE problems. So please tell me whether i going in rihgt direction or not. If not please suggest me from which tleap the basic examples run. Thank you. _______________________________________________ AMBER mailing list AMBER.ambermd.org http://lists.ambermd.org/mailman/listinfo/amberReceived on Fri May 29 2009 - 01:09:49 PDT