Yes i read many tutorial and implement but as I told you that someone send
me frcmod and in file that's why I tried to use it may be it works for me
rather then to go for Qm. But now I think should stick with mcpb.py to
prepare file for my system.
On Jul 3, 2017 3:19 PM, "Andrew Schaub" <aschaub.uci.edu> wrote:
> I'm confused. Are you trying to do the MCPB approach, or are you trying to
> use the heme frcmod/prep file from the paper? Are you attempting to mix
> these two approaches?
>
> I would suggest before trying to run your own system, to run through a
> couple of the basic tutorials, as well as the MCPB tutorial. Running
> through the tutorials give you an overview of how all of these files are
> setup, and how the entire system works. Attempting to run a complex
> simulation like heme is not easy, but the tutorails will definitely help.
> Please at least do the MCPB tutorial with the model system provided before
> trying to load it with a dioxygen or nitric oxide species. You'll save
> yourself a lot of time and headaches in the end.
>
> Good Luck!
>
> Drew
>
> On Mon, Jul 3, 2017 at 11:51 AM, Rana Rehan Khalid <rrkhalid.umich.edu>
> wrote:
>
> > i already apply for that. i read the tutorial as you guide me i want to
> > know that
> > A new atom type definition, if required, must be clear and precise. It
> > should also be possible to treat the definition
> > in an automatic atom-type assignment procedure. how i can make my pdb
> file
> > compatible with frcmod and .in file
> > I have the force field file frcmod for Heme ---O2 and prep file of it.
> and
> > i tried manually change my pdb file to make it readable for frcmod and
> prep
> > file but not succeeded actually i find form many places but i dont know
> how
> > i use that particular frcmod file and prep file i load these file i
> follow
> > source leaprc.protein.ff14SB
> > source leaprc.gaff
> > loadamberparams heme.frcmod
> > loadamberprep heme.in
> > loadpdb oxyheme.pdb
> > tleap aborted with the error like hybridization sp2,sp3 type lines it
> maybe
> > due to, that my pdb do not match with heme-fe---O2 force field which some
> > one send me.
> >
> > Thanks
> >
> > On Mon, Jul 3, 2017 at 2:31 PM, Andrew Schaub <aschaub.uci.edu> wrote:
> >
> > > Rana,
> > >
> > > You are at the University of Michigan. You guys have Gaussian on the
> > > cluster (ARC-TS). You can email them and they will get you set up with
> an
> > > account and probably show you the basics of running a gaussian job. I
> > > assume you are using the same cluster to run your AMBER jobs.
> > >
> > > Best Regards,
> > >
> > > Andrew
> > >
> > > On Mon, Jul 3, 2017 at 11:23 AM, Rana Rehan Khalid <rrkhalid.umich.edu
> >
> > > wrote:
> > >
> > > > is there any free tool for QM that uses the MCPB.py output file like
> > Go3
> > > > etc
> > > >
> > > > On Mon, Jul 3, 2017 at 1:05 PM, Pengfei Li <
> ambermailpengfei.gmail.com
> > >
> > > > wrote:
> > > >
> > > > > Hi Rana,
> > > > >
> > > > > I think you met similar problem as a former email which you sent to
> > me
> > > > > independently. The solution is similar. Please let me know your
> > trying
> > > > and
> > > > > difficulties you met to solve the problem.
> > > > >
> > > > > Kind regards,
> > > > > Pengfei
> > > > >
> > > > > > On Jul 1, 2017, at 8:40 PM, Rana Rehan Khalid <
> rrkhalid.umich.edu>
> > > > > wrote:
> > > > > >
> > > > > > after running this command i found this error """MCPB.py -i
> > NO.in
> > > > -s
> > > > > > 1"""
> > > > > > Totally there are 313 electrons in the large model.
> > > > > > Traceback (most recent call last):
> > > > > > File "/home/rehan/Downloads/amber16/bin/MCPB.py", line 562, in
> > > > <module>
> > > > > > premol2fs, cutoff, watermodel, 2, largeopt, sqmopt, smchg,
> > lgchg)
> > > > > > File
> > > > > > "/home/rehan/Downloads/amber16/lib/python2.7/site-
> > > > > packages/mcpb/gene_model_files.py",
> > > > > > line 1745, in gene_model_files
> > > > > > ionids, chargedict, lgchg, outf, watermodel, largeopt, sqmopt)
> > > > > > File
> > > > > > "/home/rehan/Downloads/amber16/lib/python2.7/site-
> > > > > packages/mcpb/gene_model_files.py",
> > > > > > line 1441, in build_large_model
> > > > > > chargedict, IonLJParaDict, largeopt)
> > > > > > File
> > > > > > "/home/rehan/Downloads/amber16/lib/python2.7/site-
> > > > > packages/msmtmol/gauio.py",
> > > > > > line 156, in write_gau_mkf
> > > > > > chg = int(round(chargedict[ionname], 0))
> > > > > > KeyError: 'O02'
> > > > > >
> > > > > > On Sat, Jul 1, 2017 at 8:57 PM, Andrew Schaub <aschaub.uci.edu>
> > > wrote:
> > > > > >
> > > > > >> You need to add the '-m' flag to specify your multiplicity.
> > > Remember,
> > > > > >> nitric oxide has one free electron as it's a radical, so it's at
> > > > least a
> > > > > >> doublet (and not a singlet). So adding '-m 2' would probably fix
> > > your
> > > > > >> problem. If you are just going to transfer the mol2 to the
> MCPB.py
> > > > > script
> > > > > >> then it's not neccessary to add charges.
> > > > > >>
> > > > > >> antechamber -fi pdb -fo mol2 -i NIT.pdb -o NIT.mol2 -pf y
> > > > > >>
> > > > > >> On Sat, Jul 1, 2017 at 5:47 PM, Rana Rehan Khalid <
> > > rrkhalid.umich.edu
> > > > >
> > > > > >> wrote:
> > > > > >>
> > > > > >>> I tried to produce the mol2 file for Nitric oxide (NO)
> following
> > > > error
> > > > > >> come
> > > > > >>> kindly guide me
> > > > > >>> antechamber -fi pdb -fo mol2 -i NIT_H_renum.pdb -o NIT.mol2 -c
> > bcc
> > > > -pf
> > > > > y
> > > > > >>> -nc 0
> > > > > >>>
> > > > > >>> Info: Bond types are assigned for valence state 2 with penalty
> > of 3
> > > > > >>> Total number of electrons: 15; net charge: 0
> > > > > >>> INFO: Number of electrons is odd: 15
> > > > > >>> Please check the total charge (-nc flag) and spin
> > multiplicity
> > > > (-m
> > > > > >>> flag)
> > > > > >>>
> > > > > >>> Running: /home/rehan/Downloads/amber16/bin/sqm -O -i sqm.in -o
> > > > sqm.out
> > > > > >>> Error: cannot run "/home/rehan/Downloads/amber16/bin/sqm -O -i
> > > > sqm.in
> > > > > -o
> > > > > >>> sqm.out" of bcc() in charge.c properly, exit
> > > > > >>>
> > > > > >>> On Fri, Jun 30, 2017 at 2:35 AM, Andrew Schaub <
> aschaub.uci.edu>
> > > > > wrote:
> > > > > >>>
> > > > > >>>> Are you trying to run two different simulations? One with
> nitric
> > > > oxide
> > > > > >>> (NO)
> > > > > >>>> bound? One with dioxygen (O-O) bound? If so, you can just
> change
> > > an
> > > > > >>> oxygen
> > > > > >>>> in your dioxygen bound complex to a nitrogen, save that and
> run
> > > MCPB
> > > > > >> ont
> > > > > >>>> hat system as well. You would run both simulations, and then
> > > compare
> > > > > >> the
> > > > > >>>> results of the two to look for differences. I believe the
> Poulos
> > > lab
> > > > > >> has
> > > > > >>>> done some MD studies on NO in P450s:
> > > > > >>>> https://www.ncbi.nlm.nih.gov/pubmed/26448477
> > > > > >>>> https://www.ncbi.nlm.nih.gov/pubmed/27439869
> > > > > >>>>
> > > > > >>>> Fortunately heme-bound enzymes are very well studied (for
> > example
> > > > > >>> myoglobin
> > > > > >>>> and hemoglobin), so there is a wealth of information on
> > electronic
> > > > > >>>> structure calculations and molecular dynamics simulations.
> Those
> > > two
> > > > > >>> review
> > > > > >>>> papers I mentioned from ACS Chem Rev is a good place to
> start. I
> > > > would
> > > > > >>>> recommend searching the primary literature to see what
> protocols
> > > and
> > > > > >>>> methods others have used to study heme bound systems to get an
> > > idea
> > > > of
> > > > > >>> what
> > > > > >>>> type of analysis or system setups you will need to perform. I
> > just
> > > > > >> wanted
> > > > > >>>> to warn you, I've had limited experience with heme
> simulations,
> > > and
> > > > > >> have
> > > > > >>>> found them to be very inflexible, and almost rock-like
> compared
> > to
> > > > > >> other
> > > > > >>>> enzymes I have studied in silico. I had to use accelerated
> > > sampling
> > > > > >>>> techniques to get useful data.
> > > > > >>>>
> > > > > >>>> Good Luck!
> > > > > >>>>
> > > > > >>>> Drew
> > > > > >>>>
> > > > > >>>> On Thu, Jun 29, 2017 at 10:03 PM, Rana Rehan Khalid <
> > > > > >> rrkhalid.umich.edu>
> > > > > >>>> wrote:
> > > > > >>>>
> > > > > >>>>> Andrew one more thing i want to ask , i prepare the file for
> > heme
> > > > > >>>>> containing protein but in our case the heme fe-----NO in one
> > > system
> > > > > >> and
> > > > > >>>>> other it bonded with O2 how i can add it because i need to
> > study
> > > > when
> > > > > >>> NO
> > > > > >>>>> attach AND when O2 attach what changes occur so in that case
> > how
> > > i
> > > > > >> add
> > > > > >>> NO
> > > > > >>>>> and O2 in the system
> > > > > >>>>>
> > > > > >>>>> On Fri, Jun 30, 2017 at 12:38 AM, Rana Rehan Khalid <
> > > > > >>> rrkhalid.umich.edu>
> > > > > >>>>> wrote:
> > > > > >>>>>
> > > > > >>>>>> That's great
> > > > > >>>>>>
> > > > > >>>>>> On Jun 30, 2017 12:30 AM, "Andrew Schaub" <aschaub.uci.edu>
> > > > wrote:
> > > > > >>>>>>
> > > > > >>>>>>> As Elvis stated. You need Gaussian. But good news, The
> > > University
> > > > > >> of
> > > > > >>>>>>> Michigan has access to it. http://arc-ts.umich.edu/
> > > > > >>> software/gaussian/
> > > > > >>>>>>>
> > > > > >>>>>>> Best Regards,
> > > > > >>>>>>>
> > > > > >>>>>>> Drew
> > > > > >>>>>>>
> > > > > >>>>>>>
> > > > > >>>>>>> On Thu, Jun 29, 2017 at 9:15 PM, Rana Rehan Khalid <
> > > > > >>>> rrkhalid.umich.edu>
> > > > > >>>>>>> wrote:
> > > > > >>>>>>>
> > > > > >>>>>>>> this command is not working Andrew i am using amber 16
> is
> > > go3
> > > > > >>> not
> > > > > >>>>>>> buitin
> > > > > >>>>>>>> i have all the input files for this command
> > > > > >>>>>>>>
> > > > > >>>>>>>> g03 < 4ZF6_small_opt.com
> > > > > >>>>>>>> <http://ambermd.org/tutorials/advanced/tutorial20/files/
> > > > > >>>>>>>> mcpbpy_heme/4ZF6_small_opt.com>
> > > > > >>>>>>>>> 4ZF6_small_opt.log
> > > > > >>>>>>>>
> > > > > >>>>>>>> On Thu, Jun 29, 2017 at 11:30 PM, Rana Rehan Khalid <
> > > > > >>>>> rrkhalid.umich.edu
> > > > > >>>>>>>>
> > > > > >>>>>>>> wrote:
> > > > > >>>>>>>>
> > > > > >>>>>>>>> oh yes it run now. Andrew i use
> > > > > >>>>>>>>>
> > > > > >>>>>>>>> 2.000000 charge for FE ferrous oxidation state
> > > > > >>>>>>>>>
> > > > > >>>>>>>>> and use 2.8 cutoff by default from the 4ZF6 <
> > > > > >>>>>>>> http://ambermd.org/tutorials/advanced/tutorial20/files/
> > mcpbp
> > > > > >>>>>>> y_heme/4ZF6.in>.in
> > > > > >>>>>>>> file. is it write ??
> > > > > >>>>>>>>>
> > > > > >>>>>>>>>
> > > > > >>>>>>>>> On Thu, Jun 29, 2017 at 11:18 PM, Andrew Schaub <
> > > > > >>> aschaub.uci.edu>
> > > > > >>>>>>> wrote:
> > > > > >>>>>>>>>
> > > > > >>>>>>>>>> Based off of your output, and lack of an .input file, I
> am
> > > > > >>>> assuming
> > > > > >>>>>>> the
> > > > > >>>>>>>>>> following. You most likely copied the input script from
> > the
> > > > > >>>>> tutorial,
> > > > > >>>>>>>> but
> > > > > >>>>>>>>>> forgot to change the ions_id.
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>> original_pdb 4ZF6_H_renum.pdb
> > > > > >>>>>>>>>> group_name 4ZF6
> > > > > >>>>>>>>>> cut_off 2.8
> > > > > >>>>>>>>>> *ion_ids 7440*
> > > > > >>>>>>>>>> software_version g09
> > > > > >>>>>>>>>> ion_mol2files FE.mol2
> > > > > >>>>>>>>>> naa_mol2files HEM.mol2 1PE.mol2 EDO.mol2
> > > > > >>>>>>>>>> frcmod_files HEM.frcmod 1PE.frcmod EDO.frcmod
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>> If you open up your HNOXO_H_renum.pdb, scroll down to
> > where
> > > > > >> the
> > > > > >>>> Fe
> > > > > >>>>>>> is,
> > > > > >>>>>>>> and
> > > > > >>>>>>>>>> find the atom number. Change your ions_id to match the
> > atom
> > > > > >>>> number
> > > > > >>>>>>>> there.
> > > > > >>>>>>>>>> In the original tutorial, the Fe atom ID was pulled from
> > > > > >>>>>>>> 4ZF6_H_renum.pdb,
> > > > > >>>>>>>>>> by finding this line in the PDB file:
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>> HETATM *7440 FE* FE A 462 -7.890 0.888 28.105
> > > > > >> 1.00
> > > > > >>>>>>>>>> 38.80 FE
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>> Best Regards,
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>> Drew
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>> On Thu, Jun 29, 2017 at 7:44 PM, Rana Rehan Khalid <
> > > > > >>>>>>> rrkhalid.umich.edu>
> > > > > >>>>>>>>>> wrote:
> > > > > >>>>>>>>>>>
> > > > > >>>>>>>>>>> The following is the input variable you have:
> > > > > >>>>>>>>>>> The variable ion_ids is : [7440]
> > > > > >>>>>>>>>>> The variable ion_info is : []
> > > > > >>>>>>>>>>> The variable ion_mol2files is : ['FE.mol2']
> > > > > >>>>>>>>>>> The variable original_pdb is : HNOXO_H_renum.pdb
> > > > > >>>>>>>>>>> The variable add_bonded_pairs is : []
> > > > > >>>>>>>>>>> The variable additional_resids is : []
> > > > > >>>>>>>>>>> The variable anglefc_avg is : 0
> > > > > >>>>>>>>>>> The variable bondfc_avg is : 0
> > > > > >>>>>>>>>>> The variable cut_off is : 2.8
> > > > > >>>>>>>>>>> The variable chgfix_resids is : []
> > > > > >>>>>>>>>>> The variable force_field is : ff14SB
> > > > > >>>>>>>>>>> The variable frcmodfs is : ['HEM.frcmod']
> > > > > >>>>>>>>>>> The variable gaff is : 1
> > > > > >>>>>>>>>>> The variable group_name is : HNOXO
> > > > > >>>>>>>>>>> The variable ion_paraset is : CM (Only for nonbonded
> > > > > >> model)
> > > > > >>>>>>>>>>> The variable large_opt is : 0
> > > > > >>>>>>>>>>> The variable lgmodel_chg is : -99
> > > > > >>>>>>>>>>> -99 means program will assign a charge
> > > > > >>>>> automatically.
> > > > > >>>>>>>>>>> The variable naa_mol2files is : ['HEM.mol2']
> > > > > >>>>>>>>>>> The variable scale_factor is : 1.0
> > > > > >>>>>>>>>>> ATTENTION: This is the scale factor of
> > > > > >>> frequency.
> > > > > >>>>> The
> > > > > >>>>>>>>>>> force constants will be scaled by
> multiplying
> > > > > >>> the
> > > > > >>>>>>> square
> > > > > >>>>>>>>>>> of scale_factor.
> > > > > >>>>>>>>>>> The variable smmodel_chg is : -99
> > > > > >>>>>>>>>>> -99 means program will assign a charge
> > > > > >>>>> automatically.
> > > > > >>>>>>>>>>> The variable software_version is : g09
> > > > > >>>>>>>>>>> The variable sqm_opt is : 0
> > > > > >>>>>>>>>>> The variable water_model is : TIP3P
> > > > > >>>>>>>>>>> Traceback (most recent call last):
> > > > > >>>>>>>>>>> File "/home/rehan/Downloads/amber16/bin/MCPB.py",
> line
> > > > > >>> 498,
> > > > > >>>> in
> > > > > >>>>>>>>>> <module>
> > > > > >>>>>>>>>>> addbpairs)
> > > > > >>>>>>>>>>> File
> > > > > >>>>>>>>>>>
> > > > > >>>>>>>>>> "/home/rehan/Downloads/amber16/lib/python2.7/site-
> > packages/
> > > > > >>>>>>>>>> mcpb/gene_model_files.py",
> > > > > >>>>>>>>>>> line 50, in get_ms_resnames
> > > > > >>>>>>>>>>> resid = mol.atoms[i].resid
> > > > > >>>>>>>>>>> KeyError: 7440
> > > > > >>>>>>>>>>> _______________________________________________
> > > > > >>>>>>>>>>> AMBER mailing list
> > > > > >>>>>>>>>>> AMBER.ambermd.org
> > > > > >>>>>>>>>>> http://lists.ambermd.org/mailman/listinfo/amber
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>> --
> > > > > >>>>>>>>>> Andrew Schaub
> > > > > >>>>>>>>>> Graduate Program in Chemical & Structural Biology
> > > > > >>>>>>>>>> Tsai Lab, http:///www.tsailabuci.com/
> > > > > >>>>>>>>>> Luo Lab, http://rayl0.bio.uci.edu/html/
> > > > > >>>>>>>>>> University of California, Irvine
> > > > > >>>>>>>>>> Irvine, CA 92697-2280
> > > > > >>>>>>>>>> 949-824-8829 (lab)
> > > > > >>>>>>>>>> 949-877-9380 (cell)
> > > > > >>>>>>>>>> aschaub.uci.edu
> > > > > >>>>>>>>>> _______________________________________________
> > > > > >>>>>>>>>> AMBER mailing list
> > > > > >>>>>>>>>> AMBER.ambermd.org
> > > > > >>>>>>>>>> http://lists.ambermd.org/mailman/listinfo/amber
> > > > > >>>>>>>>>>
> > > > > >>>>>>>>>
> > > > > >>>>>>>>>
> > > > > >>>>>>>> _______________________________________________
> > > > > >>>>>>>> AMBER mailing list
> > > > > >>>>>>>> AMBER.ambermd.org
> > > > > >>>>>>>> http://lists.ambermd.org/mailman/listinfo/amber
> > > > > >>>>>>>>
> > > > > >>>>>>>
> > > > > >>>>>>>
> > > > > >>>>>>>
> > > > > >>>>>>> --
> > > > > >>>>>>> Andrew Schaub
> > > > > >>>>>>> Graduate Program in Chemical & Structural Biology
> > > > > >>>>>>> Tsai Lab, http:///www.tsailabuci.com/ <
> > > > http://www.tsailabuci.com/
> > > > > >>>
> > > > > >>>>>>> Luo Lab, http://rayl0.bio.uci.edu/html/
> > > > > >>>>>>> University of California, Irvine
> > > > > >>>>>>> Irvine, CA 92697-2280
> > > > > >>>>>>> 949-824-8829 (lab)
> > > > > >>>>>>> 949-877-9380 (cell)
> > > > > >>>>>>> aschaub.uci.edu <http://www.linkedin.com/pub/
> > > > > >>>> andrew-schaub/9a/907/382/
> > > > > >>>>>>
> > > > > >>>>>>> _______________________________________________
> > > > > >>>>>>> AMBER mailing list
> > > > > >>>>>>> AMBER.ambermd.org
> > > > > >>>>>>> http://lists.ambermd.org/mailman/listinfo/amber
> > > > > >>>>>>>
> > > > > >>>>>>
> > > > > >>>>> _______________________________________________
> > > > > >>>>> AMBER mailing list
> > > > > >>>>> AMBER.ambermd.org
> > > > > >>>>> http://lists.ambermd.org/mailman/listinfo/amber
> > > > > >>>>>
> > > > > >>>>
> > > > > >>>>
> > > > > >>>>
> > > > > >>>> --
> > > > > >>>> Andrew Schaub
> > > > > >>>> Graduate Program in Chemical & Structural Biology
> > > > > >>>> Tsai Lab, http:///www.tsailabuci.com/ <
> > http://www.tsailabuci.com/
> > > >
> > > > > >>>> Luo Lab, http://rayl0.bio.uci.edu/html/
> > > > > >>>> University of California, Irvine
> > > > > >>>> Irvine, CA 92697-2280
> > > > > >>>> 949-824-8829 (lab)
> > > > > >>>> 949-877-9380 (cell)
> > > > > >>>> aschaub.uci.edu <http://www.linkedin.com/pub/
> > > > > >> andrew-schaub/9a/907/382/>
> > > > > >>>> _______________________________________________
> > > > > >>>> AMBER mailing list
> > > > > >>>> AMBER.ambermd.org
> > > > > >>>> http://lists.ambermd.org/mailman/listinfo/amber
> > > > > >>>>
> > > > > >>> _______________________________________________
> > > > > >>> AMBER mailing list
> > > > > >>> AMBER.ambermd.org
> > > > > >>> http://lists.ambermd.org/mailman/listinfo/amber
> > > > > >>>
> > > > > >>
> > > > > >>
> > > > > >>
> > > > > >> --
> > > > > >> Andrew Schaub
> > > > > >> Graduate Program in Chemical & Structural Biology
> > > > > >> Tsai Lab, http:///www.tsailabuci.com/ <
> http://www.tsailabuci.com/
> > >
> > > > > >> Luo Lab, http://rayl0.bio.uci.edu/html/
> > > > > >> University of California, Irvine
> > > > > >> Irvine, CA 92697-2280
> > > > > >> 949-824-8829 (lab)
> > > > > >> 949-877-9380 (cell)
> > > > > >> aschaub.uci.edu <http://www.linkedin.com/pub/
> > > > andrew-schaub/9a/907/382/
> > > > > >
> > > > > >> _______________________________________________
> > > > > >> AMBER mailing list
> > > > > >> AMBER.ambermd.org
> > > > > >> http://lists.ambermd.org/mailman/listinfo/amber
> > > > > >>
> > > > > > _______________________________________________
> > > > > > AMBER mailing list
> > > > > > AMBER.ambermd.org
> > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > >
> > > > >
> > > > > _______________________________________________
> > > > > AMBER mailing list
> > > > > AMBER.ambermd.org
> > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > >
> > > > _______________________________________________
> > > > AMBER mailing list
> > > > AMBER.ambermd.org
> > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > >
> > >
> > >
> > >
> > > --
> > > Andrew Schaub
> > > Graduate Program in Chemical & Structural Biology
> > > Tsai Lab, http:///www.tsailabuci.com/ <http://www.tsailabuci.com/>
> > > Luo Lab, http://rayl0.bio.uci.edu/html/
> > > University of California, Irvine
> > > Irvine, CA 92697-2280
> > > 949-824-8829 (lab)
> > > 949-877-9380 (cell)
> > > aschaub.uci.edu <http://www.linkedin.com/pub/
> andrew-schaub/9a/907/382/>
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Andrew Schaub
> Graduate Program in Chemical & Structural Biology
> Tsai Lab, http:///www.tsailabuci.com/ <http://www.tsailabuci.com/>
> Luo Lab, http://rayl0.bio.uci.edu/html/
> University of California, Irvine
> Irvine, CA 92697-2280
> 949-824-8829 (lab)
> 949-877-9380 (cell)
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Received on Mon Jul 03 2017 - 13:00:02 PDT
