REST 34 1 MONO 7 !NTITLE followed by title * CHARMM TESTCASE PME_P21.INP * AUTHOR: CHARLES L. BROOKS, III 20-JAN-98 * FILES : TOP_ALL22_PROT.INP, PAR_ALL22_PROT.INP, * MBCO_AU_Q0.CRD, MONO_P21.XTL, PME_P21.RST * TEST : DYNAMICS OF RESTRAINED MBCO IN P21 CRYSTAL USING PME AFTER * DELETING A HIGH-PRESSURE WATER. * DATE: 9/ 1/ 9 10:43:29 CREATED BY USER: nigra !CRYSTAL PARAMETERS 0.638797961554657D+02 0.000000000000000D+00 0.308400000000000D+02 -0.620032605079389D+01 0.000000000000000D+00 0.341313940070406D+02 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 0.000000000000000D+00 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