Amber Archive Jan 2019 by messages with attachments

279 messages: Starting Mon Dec 31 2018 - 21:30:03 PST, Ending Thu Jan 31 2019 - 13:00:02 PST
This period: Most recent messages
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[AMBER] error with HEM parm Mohammad Salem (Tue Jan 01 2019 - 20:21:02 PST)
1. high.mol2 (7849 bytes)
2. high.frcmod (1952 bytes)
[AMBER] DMF Arkajyoti Sengupta (Wed Jan 02 2019 - 15:37:25 PST)
1. dmf.txt (20353 bytes)
[AMBER] Modifying mdread2.F90 for bad atom type: "I" MMPBSA error Subha Kalyaanamoorthy (Fri Jan 11 2019 - 10:29:45 PST)
1. _MMPBSA_ligand_gb.mdout.0 (14339 bytes)
Re: [AMBER] Metal center molecule 高含露 (Tue Jan 15 2019 - 19:41:47 PST)
1. min.out (27259 bytes)
[AMBER] Abrupt peaks in the RMSD plot of heating trajectory Amartya Pradhan (Wed Jan 16 2019 - 10:29:36 PST)
1. heat-crd.pdf (36315 bytes)
[AMBER] DNA-ligand system maya nair (Sun Jan 20 2019 - 22:42:50 PST)
1. 01-21_12-04-35.png (154652 bytes)
2. 01-21_12-05-00.png (151659 bytes)
3. 01-21_12-05-27.png (151268 bytes)
4. Pt.pdb (5226 bytes)
5. PTDNAcomplexB.pdb (54839 bytes)
6. PTDNAcomplexC.pdb (33281 bytes)
[AMBER] Combining CpHMD and aMD Cecilia Lindgren (Thu Jan 24 2019 - 07:37:26 PST)
1. cphmd_amd_combined.png (363501 bytes)
2. 6_production_aMD.in (446 bytes)
[AMBER] NMOD is not running for MM PBSA Santanu Santra (Thu Jan 24 2019 - 23:20:12 PST)
1. mmpbsa_nmode.in (217 bytes)
Re: [AMBER] simple minimization error of a acetonitrile molecule in water (TIP3P water) Debarati DasGupta (Fri Jan 25 2019 - 08:00:31 PST)
1. single.pdb (1218 bytes)
[AMBER] Unusual separation between protein and ligand Rajarshi Roy (Fri Jan 25 2019 - 23:11:34 PST)
1. a.png (27279 bytes)