Amber Archive Apr 2011: by messages with attachments

[AMBER] positive TdS Hector A. Baldoni (Fri Apr 01 2011 - 09:26:01 PDT)
1. mmpbsa_per_res_decomp.in (176 bytes)
2. FINAL_RESULTS_MMPBSA.txt (8396 bytes)
Re: [AMBER] Missing Parameters Melanie (Sun Apr 03 2011 - 16:24:32 PDT)
1. frcmod.njw (987 bytes)
[AMBER] sleap with ff02pol.r1 r smith (Mon Apr 04 2011 - 07:54:19 PDT)
1. em_ac.mol2 (3024 bytes)
[AMBER] MMPBSA error Kshatresh Dutta Dubey (Thu Apr 07 2011 - 00:52:41 PDT)
1. log2 (1585 bytes)
[AMBER] rfree: Error decoding variable 1 3 from: pmemd.MPI and pmemd error miriam sgobba (Fri Apr 08 2011 - 11:03:21 PDT)
1. cpx_mir_iw_min1.out (24431 bytes)
[AMBER] tleap problem George Tzotzos (Fri Apr 08 2011 - 14:11:43 PDT)
1. caryophyllene.gif (1147 bytes)
Re: [AMBER] MMPBSA error Kshatresh Dutta Dubey (Sat Apr 09 2011 - 03:37:51 PDT)
1. binding_energy.mmpbsa (8405 bytes)
[AMBER] Editing Protein - Change Bond Melanie (Sun Apr 10 2011 - 02:37:28 PDT)
1. 3NJW_edit.pdb (22811 bytes)
[AMBER] Error in installing Amber Tools majid hasan (Sun Apr 10 2011 - 12:40:40 PDT)
1. output_of_make_in_amber11 (6926 bytes)
2. netcdf_config.log (4322 bytes)
Re: [AMBER] Error in installing Amber Tools majid hasan (Sun Apr 10 2011 - 13:41:53 PDT)
1. config.log (33346 bytes)
[AMBER] segmentation fault on antechamber when using carbon nano tube Bongkeun Kim (Mon Apr 11 2011 - 13:01:48 PDT)
1. ACDOCTOR.mol2 (59689 bytes)
2. ACDOCTOR_ATOM.ac (70439 bytes)
[AMBER] Error on running parameter 'sander' Sanjay kundu (Mon Apr 11 2011 - 22:52:53 PDT)
1. md_classical.in (175 bytes)
[AMBER] Fwd: docked complex file preparation siddesh southekal (Mon Apr 11 2011 - 10:44:17 PDT)
1. complex_eqi.rst (1193506 bytes)
[AMBER] Spatial Distribution Functions Agostino Bruno (Fri Apr 08 2011 - 07:10:10 PDT)
1. 22355_ftp.pdf (1565473 bytes)
Re: [AMBER] solvate with crystal water Hashem Taha (Tue Apr 12 2011 - 17:56:39 PDT)
1. leap.log (1527555 bytes)
[AMBER] Error while installing amber11 sonali dhindwal (Wed Apr 13 2011 - 07:42:15 PDT)
1. error_while_compiling.txt (32559 bytes)
Re: [AMBER] Error while installing amber11 sonali dhindwal (Wed Apr 13 2011 - 21:26:21 PDT)
1. 04-14_08-50-29.diff (102607 bytes)
2. 04-14_08-50-29.log (69739 bytes)
3. error_while_compiling.txt (32559 bytes)
[AMBER] Leap error with Zinc ions Manish Datt (Thu Apr 14 2011 - 07:22:29 PDT)
1. zinc2.pdb (4743 bytes)
2. leap.log (10096 bytes)
Re: [AMBER] solvate with crystal water Hashem Taha (Thu Apr 14 2011 - 08:37:42 PDT)
1. 4S2.frcmod (258 bytes)
2. LK5.frcmod (62 bytes)
3. test.pdb (556176 bytes)
4. 4S2.off (12314 bytes)
Re: [AMBER] solvate with crystal water Hashem Taha (Thu Apr 14 2011 - 08:39:02 PDT)
1. LK5.off (3288 bytes)
Re: [AMBER] solvate with crystal water Hashem Taha (Thu Apr 14 2011 - 09:04:44 PDT)
1. CY3.frcmod (129 bytes)
2. CY3.off (2211 bytes)
Re: [AMBER] How to find Acetyl-coa parameters in R.E.D.DB? Yuan Yao (Thu Apr 14 2011 - 09:46:29 PDT)
1. sqm.out (14976 bytes)
Re: [AMBER] How to find Acetyl-coa parameters in R.E.D.DB? Yuan Yao (Thu Apr 14 2011 - 10:05:12 PDT)
1. coa_h_bbd_x.mol2 (8125 bytes)
[AMBER] Error in Installing MTK++ software Naveen Samala (Thu Apr 14 2011 - 12:58:29 PDT)
1. config.log (54950 bytes)
Re: [AMBER] MMPBSA.py.MPI error 陳昭同 (Thu Apr 14 2011 - 19:58:38 PDT)
1. md2 (191 bytes)
2. mmpbsa2.in (191 bytes)
[AMBER] puzzle ahout constructing .prepin hanlu0366 (Fri Apr 15 2011 - 18:54:40 PDT)
1. TTF.cif (3558 bytes)
2. hanlu0366_gmail.com.jpg (7279 bytes)
[AMBER] FW: Leap error with Zinc ions Manish Datt (Mon Apr 18 2011 - 07:42:32 PDT)
1. zinc2.pdb (4743 bytes)
2. leap.log (10096 bytes)
Re: [AMBER] amber parameters for Ni Ben Roberts (Mon Apr 18 2011 - 08:34:18 PDT)
1. smime.p7s (2670 bytes)
[AMBER] MCPB instructions (was: Re: MCPB program - how to download) Ben Roberts (Mon Apr 18 2011 - 08:45:00 PDT)
1. smime.p7s (2670 bytes)
Re: [AMBER] FW: Leap error with Zinc ions Ben Roberts (Mon Apr 18 2011 - 09:42:50 PDT)
1. smime.p7s (2670 bytes)
Re: [AMBER] AMBER 11 pbsa errors Dmitry Osolodkin (Tue Apr 19 2011 - 08:26:13 PDT)
1. mdout.dmp.min (4496 bytes)
2. mdout.dmp.min.save (7310 bytes)
Re: [AMBER] Regarding understanding MTK++ Document Ben Roberts (Tue Apr 19 2011 - 10:31:59 PDT)
1. smime.p7s (2670 bytes)
Re: [AMBER] Regarding understanding MTK++ Document Ben Roberts (Tue Apr 19 2011 - 10:40:49 PDT)
1. smime.p7s (2670 bytes)
[AMBER] failures in tests of amber tools 1.5 juzer stationwala (Wed Apr 20 2011 - 22:31:26 PDT)
1. 04-21_10-09-32.diff (7087 bytes)
Re: [AMBER] gaussian Ben Roberts (Thu Apr 21 2011 - 07:04:05 PDT)
1. smime.p7s (2670 bytes)
Re: [AMBER] Problems with constant pH calc Amber 11 John Khan (Sat Apr 23 2011 - 16:55:54 PDT)
1. cpin_1.cpin (57509 bytes)
Re: [AMBER] Problems with constant pH calc Amber 11 John Khan (Mon Apr 25 2011 - 11:10:24 PDT)
1. IJKmd2.out (6812 bytes)
Re: [AMBER] End of protonate method with amber11? Ben Roberts (Tue Apr 26 2011 - 07:21:44 PDT)
1. smime.p7s (3919 bytes)
[AMBER] Problem with cluster? Roman Osman (Tue Apr 26 2011 - 08:39:36 PDT)
1. brd41_nt_bd_2.txt (136337 bytes)
Re: [AMBER] MCPB help Ben Roberts (Tue Apr 26 2011 - 11:30:24 PDT)
1. smime.p7s (2670 bytes)
Re: [AMBER] MTK++ : genMetalFF.sh is not generating gaussian input files Ben Roberts (Tue Apr 26 2011 - 15:45:58 PDT)
1. smime.p7s (2670 bytes)
Re: [AMBER] Regarding Gaussian Calculations for MTK++ example- sidechain model Ben Roberts (Thu Apr 28 2011 - 09:28:12 PDT)
1. smime.p7s (2670 bytes)
[AMBER] forrtl: severe (64): input conversion error, unit -5, file Internal Formatted Read Katharina Lang (Fri Apr 29 2011 - 07:33:02 PDT)
1. smime.p7s (5473 bytes)

Amber Archive Apr 2011 by messages with attachments