I use this command to convert NITRIC OXIDE containing pdb file to mol2
antechamber -fi pdb -fo mol2 -i NIT.pdb -o NIT.mol2 -pf y
after that this file generated
.<TRIPOS>MOLECULE
NIT
2 1 1 0 0
SMALL
No Charge or Current Charge
.<TRIPOS>ATOM
1 N01 4.0110 18.9270 70.5450 NIT 187 NIT
0.000000
2 O02 4.4660 17.7900 70.4550 NIT 187 NIT
0.000000
.<TRIPOS>BOND
1 1 2 2
.<TRIPOS>SUBSTRUCTURE
1 NIT 1 TEMP 0 **** **** 0 ROOT
then i use below command to generate the Frcmod file
parmchk -i NIT.mol2
<
http://ambermd.org/tutorials/advanced/tutorial20/files/mcpbpy_heme/1PE.mol2>
-o NIT.frcmod
<
http://ambermd.org/tutorials/advanced/tutorial20/files/mcpbpy_heme/1PE.frcmod>
-f mol2
THEN this file generated that contain attn that mean antechamber not assign
charge and need revision i dont know how to sort out this and make correct
mol2 file from which frcmod generated kindly guide
remark goes here
MASS
NIT 0.000 0.000 ATTN, need revision
BOND
NIT-NIT 0.00 0.000 ATTN, need revision
ANGLE
DIHE
IMPROPER
NONBON
NIT 0.0000 0.0000 ATTN, need revision
thanks.
On Mon, Jul 3, 2017 at 3:30 PM, Rana Rehan Khalid <rrkhalid.umich.edu>
wrote:
> 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
>> > > > >
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>> > > --
>> > > 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/a
>> ndrew-schaub/9a/907/382/>
>> > > _______________________________________________
>> > > AMBER mailing list
>> > > AMBER.ambermd.org
>> > > http://lists.ambermd.org/mailman/listinfo/amber
>> > >
>> > _______________________________________________
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>> > 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
>>
>
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Received on Tue Jul 04 2017 - 20:00:02 PDT
