HI
The following has worked for me to save pdbs with specific intervals.
You will have change create sets first, its as follows
parm MD-4ZF6-3--15/4ZF6_solv.prmtop
trajin MD-4ZF6-3--15/4ZF6_solv-prod300.nc 1 2000
strip :WAT
createcrd crd1
run
crdout crd1 crd1.pdb multi crdframes 1,last,10
run
I hope this helps.
Best Regards
Elvis
On Wed, 7 Oct 2020 at 19:19, Vaibhav Dixit <vaibhavadixit.gmail.com> wrote:
> I removed the onlyframes flag, but now it is writing all 2000 pdb files and
> some how ignoring the " 1 last 100" like options
> This is strange to me, I can't figure out where it is going wrong.
> I don't want to run electrostatics on 2000 files before ensuring that it is
> giving meaningful E differences between two protein redox states.
> Please suggest.
> thank you.
>
>
> On Wed, Oct 7, 2020 at 6:11 PM Elvis Martis <elvis_bcp.elvismartis.in>
> wrote:
>
> > Hi
> > Sorry my bad I ignored the onlyframes flag
> > Can you try this one
> > trajout 4ZF6_solv.prmtop.pqr pdb multi nobox dumpq noter 1 last 10
> > Best Regards
> > Elvis
> >
> >
> >
> > On Wed, 7 Oct 2020 at 18:05, Vaibhav Dixit <vaibhavadixit.gmail.com>
> > wrote:
> >
> > > Dear Elvis and other Amber people,
> > > Strangely your suggestion isn't working at my end.
> > > With the following command options I'm getting only one PDB file i.e.
> the
> > > first one.
> > >
> > > trajout 4ZF6_solv.pqr pdb multi nobox dumpq onlyframes 1 last 50
> > >
> > > Following is the cpptraj output on the terminal shows (in bold) that it
> > is
> > > writing only 1 frame.
> > > Can you please suggest what might be going wrong here and how to fix
> it?
> > >
> > > (base) [exx.c107739 4ZF6-3--15]$ cpptraj -i MD-4ZF6-3--15/cpptraj.in
> > >
> > > CPPTRAJ: Trajectory Analysis. V4.14.0 (AmberTools V19.09)
> > > ___ ___ ___ ___
> > > | \/ | \/ | \/ |
> > > _|_/\_|_/\_|_/\_|_
> > >
> > > | Date/time: 10/07/20 16:57:55
> > > | Available memory: 5.063 GB
> > >
> > > INPUT: Reading input from 'MD-4ZF6-3--15/cpptraj.in'
> > > [parm MD-4ZF6-3--15/4ZF6_solv.prmtop]
> > > Reading 'MD-4ZF6-3--15/4ZF6_solv.prmtop' as Amber Topology
> > > Radius Set: modified Bondi radii (mbondi)
> > > [trajin MD-4ZF6-3--15/4ZF6_solv-prod300.nc 1 2000]
> > > Reading 'MD-4ZF6-3--15/4ZF6_solv-prod300.nc' as Amber NetCDF
> > > [strip :WAT ]
> > > STRIP: Stripping atoms in mask [:WAT]
> > > [trajout 4ZF6_solv.prmtop.pqr pdb multi nobox dumpq noter onlyframes
> 1
> > > last 10]
> > > * Saving frames 1*
> > > Writing '4ZF6_solv.prmtop.pqr' as PDB
> > > ---------- RUN BEGIN -------------------------------------------------
> > >
> > > PARAMETER FILES (1 total):
> > > 0: 4ZF6_solv.prmtop, 61611 atoms, 18513 res, box: Orthogonal, 18052
> mol,
> > > 18037 solvent
> > >
> > > INPUT TRAJECTORIES (1 total):
> > > 0: '4ZF6_solv-prod300.nc' is a NetCDF AMBER trajectory with
> coordinates,
> > > time, box, Parm 4ZF6_solv.prmtop (Orthogonal box) (reading 2000 of
> 2000)
> > > Coordinate processing will occur on 2000 frames.
> > >
> > > OUTPUT TRAJECTORIES (1 total):
> > > '4ZF6_solv.prmtop.pqr' (2000 frames) is a PDB file (1 file per
> frame),
> > > writing charges to occupancy column and GB radii to B-factor column no
> > box
> > > info,: *Writing frames 1*
> > >
> > > BEGIN TRAJECTORY PROCESSING:
> > > .....................................................
> > > ACTION SETUP FOR PARM '4ZF6_solv.prmtop' (1 actions):
> > > 0: [strip :WAT ]
> > > Stripping 54111 atoms.
> > > Stripped topology: 7500 atoms, 476 res, box: Orthogonal, 15 mol
> > > .....................................................
> > > ACTIVE OUTPUT TRAJECTORIES (1):
> > > 4ZF6_solv.prmtop.pqr (coordinates, time)
> > > ----- 4ZF6_solv-prod300.nc (1-2000, 1) -----
> > > 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.
> > >
> > > Read 2000 frames and processed 2000 frames.
> > > TIME: Avg. throughput= 268.0487 frames / second.
> > >
> > > ACTION OUTPUT:
> > > TIME: Analyses took 0.0000 seconds.
> > >
> > > RUN TIMING:
> > > TIME: Init : 0.0001 s ( 0.00%)
> > > TIME: Trajectory Process : 7.4613 s ( 99.98%)
> > > TIME: Action Post : 0.0000 s ( 0.00%)
> > > TIME: Analysis : 0.0000 s ( 0.00%)
> > > TIME: Data File Write : 0.0000 s ( 0.00%)
> > > TIME: Other : 0.0011 s ( 0.00%)
> > > TIME: Run Total 7.4626 s
> > > ---------- RUN END ---------------------------------------------------
> > > TIME: Total execution time: 7.7751 seconds.
> > >
> > >
> >
> --------------------------------------------------------------------------------
> > > To cite CPPTRAJ use:
> > > Daniel R. Roe and Thomas E. Cheatham, III, "PTRAJ and CPPTRAJ: Software
> > for
> > > Processing and Analysis of Molecular Dynamics Trajectory Data". J.
> > Chem.
> > > Theory Comput., 2013, 9 (7), pp 3084-3095.
> > >
> > >
> > > On Tue, Oct 6, 2020 at 9:46 AM Vaibhav Dixit <vaibhavadixit.gmail.com>
> > > wrote:
> > >
> > > > Dear Elvis,
> > > > OK, that seems intuitive and obvious now.
> > > > thanks for the quick response.
> > > > best regards
> > > >
> > > > On Tue, Oct 6, 2020 at 9:36 AM Elvis Martis <
> elvis_bcp.elvismartis.in>
> > > > wrote:
> > > >
> > > >> Hi
> > > >> you could try this
> > > >> trajout output.pdb pdb multi nobox dumpq noter onlyframes 1 last 10,
> > > >> (first
> > > >> is a start frame, followed by the last frame, and the offset; save
> > every
> > > >> 10th frame in this case)
> > > >>
> > > >> Best Regards
> > > >> Elvis
> > > >>
> > > >>
> > > >>
> > > >> On Tue, 6 Oct 2020 at 09:29, Vaibhav Dixit <vaibhavadixit.gmail.com
> >
> > > >> wrote:
> > > >>
> > > >> > Dear Daniel and All,
> > > >> > Is it possible to write snapshots at regular intervals with a
> > > specified
> > > >> > increment like the following without actually writing all the
> > numbers
> > > in
> > > >> > the cpptraj input?
> > > >> > Snapshot number 1,10,20,30,40.... or
> > > >> > 1,50,100,150,200,250...
> > > >> >
> > > >> > I can run a for loop to write numbers for all snapshots but I'm
> > > guessing
> > > >> > cpptraj must have equivalent options that I can't figure out
> myself
> > > and
> > > >> > thus possible to easily avoid having to do this
> > > >> > list=()
> > > >> > for i in {1..20000..50}; do list+=$i; list+=", " : done)
> > > >> > trajout output.pdb pdb multi nobox dumpq noter onlyframes $list
> > > >> >
> > > >> > I will use the pqr format to be used later for electrostatics
> > > >> > calculations.
> > > >> > Looking forward to some valuable suggestions.
> > > >> > Thank you and best regards.
> > > >> >
> > > >> > On Sun, Oct 4, 2020 at 10:01 PM Elvis Martis <
> > > elvis_bcp.elvismartis.in>
> > > >> > wrote:
> > > >> >
> > > >> > > Yes. VMD numbering starts at 0. Chimera and cpptraj start at 1.
> > > >> > >
> > > >> > > On Sunday, October 4, 2020, Vaibhav Dixit <
> > vaibhavadixit.gmail.com>
> > > >> > wrote:
> > > >> > >
> > > >> > > > Ok, this change has fixed the problem and it is saving PDB
> files
> > > as
> > > >> > > > expected.
> > > >> > > > I visualized the trajectory in vmd which starts with 0, thus
> > > assumed
> > > >> > that
> > > >> > > > it should be true for AmberTools.
> > > >> > > > Great, there is something new to (re)learn every day with
> Amber.
> > > >> > > > Thanks a lot for responding on a Sunday.
> > > >> > > >
> > > >> > > > On Sun, Oct 4, 2020 at 7:16 PM Daniel Roe <
> > daniel.r.roe.gmail.com
> > > >
> > > >> > > wrote:
> > > >> > > >
> > > >> > > > > Hi,
> > > >> > > > >
> > > >> > > > > On Sun, Oct 4, 2020 at 12:33 AM Vaibhav Dixit <
> > > >> > vaibhavadixit.gmail.com
> > > >> > > >
> > > >> > > > > wrote:
> > > >> > > > > > trajout 4ZF6_solv.pdb pdb multi nobox dumpq onlyframes
> > 0,49,99
> > > >> > > > >
> > > >> > > > > Cpptraj expects frame #s to start from 1, so I suspect the
> > issue
> > > >> here
> > > >> > > > > is that since frame "0" is never encountered, the
> 'onlyframes'
> > > >> never
> > > >> > > > > moves on from it. I thought I had trapped this but I guess
> > not.
> > > >> I'll
> > > >> > > > > work on an update to make sure this case is trapped - in the
> > > >> meantime
> > > >> > > > > adjust your frame #s so that they start from 1 and see if
> that
> > > >> fixes
> > > >> > > > > things.
> > > >> > > > >
> > > >> > > > > -Dan
> > > >> > > > >
> > > >> > > > > >
> > > >> > > > > > Cpptraj output on the terminal
> > > >> > > > > > [user.localhost MD-4ZF6-3--15]$ cpptraj -i
> > > traj-pqr-cpptraj.in
> > > >> > > > > >
> > > >> > > > > > CPPTRAJ: Trajectory Analysis. V4.14.0 (AmberTools V19.11)
> > > >> > > > > > ___ ___ ___ ___
> > > >> > > > > > | \/ | \/ | \/ |
> > > >> > > > > > _|_/\_|_/\_|_/\_|_
> > > >> > > > > >
> > > >> > > > > > | Date/time: 10/04/20 09:59:54
> > > >> > > > > > | Available memory: 36.464 GB
> > > >> > > > > >
> > > >> > > > > > INPUT: Reading input from 'traj-pqr-cpptraj.in'
> > > >> > > > > > [parm 4ZF6_solv.prmtop]
> > > >> > > > > > Reading '4ZF6_solv.prmtop' as Amber Topology
> > > >> > > > > > Radius Set: modified Bondi radii (mbondi)
> > > >> > > > > > [trajin 4ZF6_solv-prod300.nc 1 200]
> > > >> > > > > > Reading '4ZF6_solv-prod300.nc' as Amber NetCDF
> > > >> > > > > > [strip :WAT ]
> > > >> > > > > > STRIP: Stripping atoms in mask [:WAT]
> > > >> > > > > > [trajout 4ZF6_solv.pdb pdb multi nobox dumpq onlyframes
> > > >> 0,49,99]
> > > >> > > > > > Saving frames 0 49 99
> > > >> > > > > > Writing '4ZF6_solv.pdb' as PDB
> > > >> > > > > > ---------- RUN BEGIN
> > > >> > > -------------------------------------------------
> > > >> > > > > >
> > > >> > > > > > PARAMETER FILES (1 total):
> > > >> > > > > > 0: 4ZF6_solv.prmtop, 61611 atoms, 18513 res, box:
> > Orthogonal,
> > > >> > 18052
> > > >> > > > mol,
> > > >> > > > > > 18037 solvent
> > > >> > > > > >
> > > >> > > > > > INPUT TRAJECTORIES (1 total):
> > > >> > > > > > 0: '4ZF6_solv-prod300.nc' is a NetCDF AMBER trajectory
> with
> > > >> > > > coordinates,
> > > >> > > > > > time, box, Parm 4ZF6_solv.prmtop (Orthogonal box) (reading
> > 200
> > > >> of
> > > >> > > 2000)
> > > >> > > > > > Coordinate processing will occur on 200 frames.
> > > >> > > > > >
> > > >> > > > > > OUTPUT TRAJECTORIES (1 total):
> > > >> > > > > > '4ZF6_solv.pdb' (200 frames) is a PDB file (1 file per
> > > frame),
> > > >> > > > writing
> > > >> > > > > > charges to occupancy column and GB radii to B-factor
> column
> > no
> > > >> box
> > > >> > > > info,:
> > > >> > > > > > Writing frames 0 49 99
> > > >> > > > > >
> > > >> > > > > > BEGIN TRAJECTORY PROCESSING:
> > > >> > > > > > .....................................................
> > > >> > > > > > ACTION SETUP FOR PARM '4ZF6_solv.prmtop' (1 actions):
> > > >> > > > > > 0: [strip :WAT ]
> > > >> > > > > > Stripping 54111 atoms.
> > > >> > > > > > Stripped topology: 7500 atoms, 476 res, box:
> > > >> Orthogonal, 15
> > > >> > > mol
> > > >> > > > > > .....................................................
> > > >> > > > > > ACTIVE OUTPUT TRAJECTORIES (1):
> > > >> > > > > > 4ZF6_solv.pdb (coordinates, time)
> > > >> > > > > > ----- 4ZF6_solv-prod300.nc (1-200, 1) -----
> > > >> > > > > > 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.
> > > >> > > > > >
> > > >> > > > > > Read 200 frames and processed 200 frames.
> > > >> > > > > > TIME: Avg. throughput= 490.0916 frames / second.
> > > >> > > > > >
> > > >> > > > > > ACTION OUTPUT:
> > > >> > > > > > TIME: Analyses took 0.0000 seconds.
> > > >> > > > > >
> > > >> > > > > > RUN TIMING:
> > > >> > > > > > TIME: Init : 0.0001 s ( 0.02%)
> > > >> > > > > > TIME: Trajectory Process : 0.4081 s ( 99.69%)
> > > >> > > > > > TIME: Action Post : 0.0000 s ( 0.00%)
> > > >> > > > > > TIME: Analysis : 0.0000 s ( 0.00%)
> > > >> > > > > > TIME: Data File Write : 0.0000 s ( 0.00%)
> > > >> > > > > > TIME: Other : 0.0012 s ( 0.00%)
> > > >> > > > > > TIME: Run Total 0.4094 s
> > > >> > > > > > ---------- RUN END
> > > >> > > ---------------------------------------------------
> > > >> > > > > > TIME: Total execution time: 0.6527 seconds.
> > > >> > > > > >
> > > >> > > > > ------------------------------------------------------------
> > > >> > > > --------------------
> > > >> > > > > > To cite CPPTRAJ use:
> > > >> > > > > > Daniel R. Roe and Thomas E. Cheatham, III, "PTRAJ and
> > CPPTRAJ:
> > > >> > > Software
> > > >> > > > > for
> > > >> > > > > > Processing and Analysis of Molecular Dynamics Trajectory
> > > >> Data".
> > > >> > J.
> > > >> > > > > Chem.
> > > >> > > > > > Theory Comput., 2013, 9 (7), pp 3084-3095.
> > > >> > > > > >
> > > >> > > > > >
> > > >> > > > > >
> > > >> > > > > > --
> > > >> > > > > >
> > > >> > > > > > Regards,
> > > >> > > > > >
> > > >> > > > > > Dr. Vaibhav A. Dixit,
> > > >> > > > > >
> > > >> > > > > > Visiting Scientist at the Manchester Institute of
> > > Biotechnology
> > > >> > > (MIB),
> > > >> > > > > The
> > > >> > > > > > University of Manchester, 131 Princess Street, Manchester
> M1
> > > >> 7DN,
> > > >> > UK.
> > > >> > > > > > AND
> > > >> > > > > > Assistant Professor,
> > > >> > > > > > Department of Pharmacy,
> > > >> > > > > > ▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄
> > > >> > > > > > Birla Institute of Technology and Sciences Pilani
> > > (BITS-Pilani),
> > > >> > > > > > VidyaVihar Campus, street number 41, Pilani, Rajasthan
> > 333031.
> > > >> > > > > > India.
> > > >> > > > > > Phone No. +91 1596 255652, Mob. No. +91-7709129400,
> > > >> > > > > > Email: vaibhav.dixit.pilani.bits-pilani.ac.in,
> > > >> > > vaibhavadixit.gmail.com
> > > >> > > > > > http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
> > > >> > > > > > https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
> > > >> > > > > >
> > > >> > > > > > ORCID ID: https://orcid.org/0000-0003-4015-2941
> > > >> > > > > >
> > > >> > > > > >
> > > >> >
> > http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
> > > >> > > > > >
> > > >> > > > > > P Please consider the environment before printing this
> > e-mail
> > > >> > > > > > _______________________________________________
> > > >> > > > > > 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
> > > >> > > > >
> > > >> > > >
> > > >> > > >
> > > >> > > > --
> > > >> > > >
> > > >> > > > Regards,
> > > >> > > >
> > > >> > > > Dr. Vaibhav A. Dixit,
> > > >> > > >
> > > >> > > > Visiting Scientist at the Manchester Institute of
> Biotechnology
> > > >> (MIB),
> > > >> > > The
> > > >> > > > University of Manchester, 131 Princess Street, Manchester M1
> > 7DN,
> > > >> UK.
> > > >> > > > AND
> > > >> > > > Assistant Professor,
> > > >> > > > Department of Pharmacy,
> > > >> > > > ▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄
> > > >> > > > Birla Institute of Technology and Sciences Pilani
> (BITS-Pilani),
> > > >> > > > VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031.
> > > >> > > > India.
> > > >> > > > Phone No. +91 1596 255652, Mob. No. +91-7709129400,
> > > >> > > > Email: vaibhav.dixit.pilani.bits-pilani.ac.in,
> > > >> vaibhavadixit.gmail.com
> > > >> > > > http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
> > > >> > > > https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
> > > >> > > >
> > > >> > > > ORCID ID: https://orcid.org/0000-0003-4015-2941
> > > >> > > >
> > > >> > > >
> > > >>
> http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
> > > >> > > >
> > > >> > > > P Please consider the environment before printing this e-mail
> > > >> > > > _______________________________________________
> > > >> > > > AMBER mailing list
> > > >> > > > AMBER.ambermd.org
> > > >> > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > >> > > >
> > > >> > >
> > > >> > >
> > > >> > > --
> > > >> > > Best Regards
> > > >> > > Elvis
> > > >> > > _______________________________________________
> > > >> > > AMBER mailing list
> > > >> > > AMBER.ambermd.org
> > > >> > > http://lists.ambermd.org/mailman/listinfo/amber
> > > >> > >
> > > >> >
> > > >> >
> > > >> > --
> > > >> >
> > > >> > Regards,
> > > >> >
> > > >> > Dr. Vaibhav A. Dixit,
> > > >> >
> > > >> > Visiting Scientist at the Manchester Institute of Biotechnology
> > (MIB),
> > > >> The
> > > >> > University of Manchester, 131 Princess Street, Manchester M1 7DN,
> > UK.
> > > >> > AND
> > > >> > Assistant Professor,
> > > >> > Department of Pharmacy,
> > > >> > ▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄
> > > >> > Birla Institute of Technology and Sciences Pilani (BITS-Pilani),
> > > >> > VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031.
> > > >> > India.
> > > >> > Phone No. +91 1596 255652, Mob. No. +91-7709129400,
> > > >> > Email: vaibhav.dixit.pilani.bits-pilani.ac.in,
> > > vaibhavadixit.gmail.com
> > > >> > http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
> > > >> > https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
> > > >> >
> > > >> > ORCID ID: https://orcid.org/0000-0003-4015-2941
> > > >> >
> > > >> >
> > http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
> > > >> >
> > > >> > P Please consider the environment before printing this e-mail
> > > >> > _______________________________________________
> > > >> > 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
> > > >>
> > > >
> > > >
> > > > --
> > > >
> > > > Regards,
> > > >
> > > > Dr. Vaibhav A. Dixit,
> > > >
> > > > Visiting Scientist at the Manchester Institute of Biotechnology
> (MIB),
> > > The
> > > > University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
> > > > AND
> > > > Assistant Professor,
> > > > Department of Pharmacy,
> > > > ▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄
> > > > Birla Institute of Technology and Sciences Pilani (BITS-Pilani),
> > > > VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031.
> > > > India.
> > > > Phone No. +91 1596 255652, Mob. No. +91-7709129400,
> > > > Email: vaibhav.dixit.pilani.bits-pilani.ac.in,
> vaibhavadixit.gmail.com
> > > > http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
> > > > https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
> > > >
> > > > ORCID ID: https://orcid.org/0000-0003-4015-2941
> > > >
> > > > http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
> > > >
> > > > P Please consider the environment before printing this e-mail
> > > >
> > > >
> > >
> > > --
> > >
> > > Regards,
> > >
> > > Dr. Vaibhav A. Dixit,
> > >
> > > Visiting Scientist at the Manchester Institute of Biotechnology (MIB),
> > The
> > > University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
> > > AND
> > > Assistant Professor,
> > > Department of Pharmacy,
> > > ▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄
> > > Birla Institute of Technology and Sciences Pilani (BITS-Pilani),
> > > VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031.
> > > India.
> > > Phone No. +91 1596 255652, Mob. No. +91-7709129400,
> > > Email: vaibhav.dixit.pilani.bits-pilani.ac.in, vaibhavadixit.gmail.com
> > > http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
> > > https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
> > >
> > > ORCID ID: https://orcid.org/0000-0003-4015-2941
> > >
> > > http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
> > >
> > > P Please consider the environment before printing this e-mail
> > > _______________________________________________
> > > 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
> >
>
>
> --
>
> Regards,
>
> Dr. Vaibhav A. Dixit,
>
> Visiting Scientist at the Manchester Institute of Biotechnology (MIB), The
> University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
> AND
> Assistant Professor,
> Department of Pharmacy,
> ▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄▄
> Birla Institute of Technology and Sciences Pilani (BITS-Pilani),
> VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031.
> India.
> Phone No. +91 1596 255652, Mob. No. +91-7709129400,
> Email: vaibhav.dixit.pilani.bits-pilani.ac.in, vaibhavadixit.gmail.com
> http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
> https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
>
> ORCID ID: https://orcid.org/0000-0003-4015-2941
>
> http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
>
> P Please consider the environment before printing this e-mail
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
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Received on Wed Oct 07 2020 - 08:00:03 PDT
