Hi, I did put TER cards as:
HETATM 3381 C6 2hA C 5 -8.708 11.921 36.620 0.65 42.18
C
TER 2hA C 5
HETATM 3371 O OME C 6 -5.752 12.674 33.641 0.65 41.94
O
And I also used LINK as:
LINK O OME A 6 C1 2hA A 5
...
So I guess that's why it worked out.
Thanks again,
Yun
On Mon, Aug 15, 2011 at 11:55 AM, Lachele Foley (Lists)
<lf.list.gmail.com>wrote:
> Glad you figured it out!
>
> I'm guessing you didn't put a TER card between those two residues? They
> aren't in canonical tleap order, so it might be by accident that the
> bonding
> happened properly. This just FYI in case a similar case doesn't work in
> the
> future. The leaps do pretty well with guesses at bonding, but sugars can
> be
> complicated, so they sometimes need a little help.
>
>
>
> On Mon, Aug 15, 2011 at 2:32 PM, Yun Shi <yunshi09.gmail.com> wrote:
>
> > Sorry, when I checked
> >
> > desc 1m7.441.O
> > ATOM
> > Name: O
> > Type: OS
> > Charge: -0.4580
> > Polarization: 0.0000
> > Element: O
> > Atom flags: (decimal 131072 hex 0x20000)
> > posfxd n posblt n posdrwn n selected n
> > pert n notdisp n touched n posknwn Y
> > internal n needsmin n needsbuild n
> > Atom position: -5.752000, 12.674000, 33.641000
> > Atom velocity: 0.000000, 0.000000, 0.000000
> > Bonded to .R<OME 441>.A<CH3 2> by a single bond.
> > Bonded to .R<2hA 440>.A<C1 1> by a single bond.
> >
> > So without my using bond command, the bonds are already there, and I do
> see
> > those bonds in VMD.
> >
> > Sorry for the false alarm[?][?]
> >
> > On Mon, Aug 15, 2011 at 11:10 AM, Yun Shi <yunshi09.gmail.com> wrote:
> >
> > > Hi,
> > >
> > > There seems to be some small problems still.
> > >
> > > So I load ff99SB and GLYCAM_06 with source command, them load my pdb
> file
> > > as
> > >
> > > > 1m7 = loadpdb 1m7iF.pdb
> > >
> > > Loading PDB file: ./1m7iF.pdb
> > > total atoms in file: 3379
> > > Leap added 3284 missing atoms according to residue templates:
> > > 3284 H / lone pairs
> > > > bond 1m7.441.O 1m7.440.C1
> > > > saveamberparm 1m7 1m7iff.prmtop 1m7iff.inpcrd
> > > Checking Unit.
> > > WARNING: The unperturbed charge of the unit: 1.000000 is not zero.
> > >
> > > -- ignoring the warning.
> > >
> > > Building topology.
> > > Building atom parameters.
> > > Building bond parameters.
> > > Building angle parameters.
> > > Building proper torsion parameters.
> > > !FATAL ERROR----------------------------------------
> > > !FATAL: In file [unitio.c], line 1773
> > > !FATAL: Message: 1-4: cannot add bond 6639 6663
> > > This may be caused by duplicate bond specifications;
> > > for example, explicit bond commands in addition to PDB conect records.
> > > !
> > > !ABORTING.
> > >
> > > But then I checked the the resulting pdb file from "savepdb 1m7
> > > 1m7iff.pdb", which showed that there are empty valence for atoms 6639
> > > (1m7.440.C1) and 6663 (1m7.441.O ), so could you let me know why the
> > single
> > > bond (by default) cannot be added?
> > >
> > > Thanks,
> > >
> > > Yun
> > >
> > >
> > >
> > >
> > > On Sat, Aug 13, 2011 at 11:39 AM, Lachele Foley (Lists) <
> > lf.list.gmail.com
> > > > wrote:
> > >
> > >> It means the files are ok for a normal MD simulation.
> > >>
> > >> Of course, as always, I do recommend opening the prmtop and inpcrd
> > >> files in VMD (VMD file types AMBER7 Parm and AMBER7 Restart,
> > >> respectively). Carefully inspect to be sure bonding looks ok, etc.
> > >>
> > >> It is also useful to try the "check" command in tleap. It doesn't
> > >> catch everything, but can alert you to long bonds and such. To do
> > >> that, just before the saveamberparm bit, enter "check 1M7".
> > >>
> > >> :-) L
> > >>
> > >> On Sat, Aug 13, 2011 at 1:09 PM, Yun Shi <yunshi09.gmail.com> wrote:
> > >> > Thank you! That's really helpful.
> > >> >
> > >> > But when I tried saving the parameters .prmtop file and .inpcrd
> file,
> > >> > problems appeared as
> > >> >
> > >> > ...
> > >> >
> > >> > Marking per-residue atom chain types.
> > >> > (Residues lacking connect0/connect1 -
> > >> > these don't have chain types marked:
> > >> >
> > >> > res total affected
> > >> >
> > >> > CARG 1
> > >> > CPRO 1
> > >> > NASP 1
> > >> > NGLU 1
> > >> > WAT 15773
> > >> > )
> > >> > (no restraints)
> > >> >
> > >> > So I do not quite understand what "don't have chain types marked:"
> > >> means.
> > >> > And they are all terminal AAs and waters. I searched the archive and
> > >> someone
> > >> > said:
> > >> >
> > >> > If connect0/connect1 are not specified, you just get the warning,
> > >> > which has no effect unless you use carnal or the chain part of the
> > >> > GROUP spec in sander etc.
> > >> >
> > >> > So does this mean they won't affect a normal MD simulation?
> > >> >
> > >> > Thanks,
> > >> >
> > >> > Yun
> > >> >
> > >> > On Sat, Aug 13, 2011 at 7:54 AM, Lachele Foley (Lists) <
> > >> lf.list.gmail.com>wrote:
> > >> >
> > >> >> The protein should contain hydrogens. You need to load a protein
> > >> >> force field as well as the Glycam force field. The latter only
> > >> >> contains protein information as is required for linking glycans to
> > >> >> proteins.
> > >> >>
> > >> >> Try adding "source leaprc.ff99SB" to your leap input file. Put it
> > >> >> before the source of leaprc.GLYCAM_06. There are other protein
> force
> > >> >> fields, but that one works.
> > >> >>
> > >> >> Since you are using amber11+, make sure you build using tleap and
> not
> > >> >> sleap.
> > >> >>
> > >> >>
> > >> >>
> > >> >> On Sat, Aug 13, 2011 at 12:26 AM, Yun Shi <yunshi09.gmail.com>
> > wrote:
> > >> >> > So it's like:
> > >> >> >
> > >> >> > Welcome to LEaP!
> > >> >> > (no leaprc in search path)
> > >> >> >> source leaprc.GLYCAM_06
> > >> >> > ----- Source: /usr/local/amber11-12/dat/leap/cmd/leaprc.GLYCAM_06
> > >> >> > ----- Source of
> /usr/local/amber11-12/dat/leap/cmd/leaprc.GLYCAM_06
> > >> done
> > >> >> > Loading parameters:
> > >> /usr/local/amber11-12/dat/leap/parm/Glycam_06g.dat
> > >> >> > Reading title:
> > >> >> > GLYCAM PARAMETERS (FOR AMBER 8.0, RESP 0.010), COPYRIGHT CCRC
> 2004
> > >> >> > Loading Prep file:
> > /usr/local/amber11-12/dat/leap/prep/GLYCAM_06.prep
> > >> >> > Loading library:
> > >> /usr/local/amber11-12/dat/leap/lib/GLYCAM_amino_06.lib
> > >> >> > Loading library:
> > >> /usr/local/amber11-12/dat/leap/lib/GLYCAM_aminoct_06.lib
> > >> >> > Loading library:
> > >> /usr/local/amber11-12/dat/leap/lib/GLYCAM_aminont_06.lib
> > >> >> > Loading library: /usr/local/amber11-12/dat/leap/lib/solvents.lib
> > >> >> >> 1M7 = loadpdb 1m7iF.pdb
> > >> >> > Loading PDB file: ./1m7iF.pdb
> > >> >> > Unknown residue: ASP number: 0 type: Terminal/beginning
> > >> >> > ..relaxing end constraints to try for a dbase match
> > >> >> > -no luck
> > >> >> > Unknown residue: VAL number: 1 type: Nonterminal
> > >> >> > ...
> > >> >> >
> > >> >> > I am doing this on a cluster, which allegedly contains all the
> > >> things. So
> > >> >> no
> > >> >> > hydrogen atoms for amino acids is normal?
> > >> >> >
> > >> >> > Thanks again!
> > >> >> >
> > >> >> > Yun
> > >> >> >
> > >> >> > On Fri, Aug 12, 2011 at 7:27 PM, Lachele Foley (Lists) <
> > >> >> lf.list.gmail.com>wrote:
> > >> >> >
> > >> >> >> How did you load your protein force field? Did you use one of
> the
> > >> >> >> standard leaprc's down in $AMBERHOME/dat/leap/cmd?
> > >> >> >>
> > >> >> >> My best guess is that you didn't load library files for N- and
> > >> >> >> C-terminal amino acids. For example, to load the params for
> ff94,
> > >> you
> > >> >> >> need all three of: all_amino94.lib, all_aminoct94.lib &
> > >> >> >> all_aminont94.lib. The "ct" and "nt" versions contain the
> > terminal
> > >> >> >> groups.
> > >> >> >>
> > >> >> >> The leaprc's that ship with Amber generally load all these. So,
> > if
> > >> >> >> you're making a custom one, you might try looking in, say,
> > >> >> >> leaprc.ff99SB, to see what all is frequently needed.
> > >> >> >>
> > >> >> >>
> > >> >> >>
> > >> >> >> On Fri, Aug 12, 2011 at 10:11 PM, Yun Shi <yunshi09.gmail.com>
> > >> wrote:
> > >> >> >> > Thanks Lachele!
> > >> >> >> >
> > >> >> >> > I initially thought TER card would take up one atom numbering,
> > but
> > >> it
> > >> >> >> turned
> > >> >> >> > out not, meaning I do not have to renumbering subsequent atoms
> > >> every
> > >> >> time
> > >> >> >> I
> > >> >> >> > add a TER card.
> > >> >> >> >
> > >> >> >> > So my oligosaccharide seems to be recognized by GLYCAM_06 ff.
> > >> >> >> >
> > >> >> >> > But when I loaded the protein-sugar complex into tleap with
> > >> GLYCAM_06
> > >> >> ff,
> > >> >> >> it
> > >> >> >> > seems those terminal amino acids were not recognized. I got
> > screen
> > >> >> info
> > >> >> >> such
> > >> >> >> > as:
> > >> >> >> >
> > >> >> >> > Unknown residue: ASP number: 0 type: Terminal/beginning
> > >> >> >> > ..relaxing end constraints to try for a dbase match
> > >> >> >> > -no luck
> > >> >> >> > ...
> > >> >> >> > Unknown residue: PRO number: 434 type: Terminal/last
> > >> >> >> > ..relaxing end constraints to try for a dbase match
> > >> >> >> > -no luck
> > >> >> >> > ...
> > >> >> >> >
> > >> >> >> > But every amino acid residue (including terminal ones) had its
> > new
> > >> >> >> residue
> > >> >> >> > created, like
> > >> >> >> >
> > >> >> >> > ...
> > >> >> >> > Creating new UNIT for residue: PRO sequence: 435
> > >> >> >> > Created a new atom named: N within residue: .R<PRO 435>
> > >> >> >> > Created a new atom named: CA within residue: .R<PRO 435>
> > >> >> >> > Created a new atom named: C within residue: .R<PRO 435>
> > >> >> >> > Created a new atom named: O within residue: .R<PRO 435>
> > >> >> >> > Created a new atom named: CB within residue: .R<PRO 435>
> > >> >> >> > Created a new atom named: CG within residue: .R<PRO 435>
> > >> >> >> > Created a new atom named: CD within residue: .R<PRO 435>
> > >> >> >> > Created a new atom named: OXT within residue: .R<PRO 435>
> > >> >> >> > ...
> > >> >> >> >
> > >> >> >> > So why there is no hydrogen atoms? Do I need to manually add
> > them?
> > >> I
> > >> >> >> asked
> > >> >> >> > this because hydrogen atoms on my oligosaccharide were added
> > >> >> >> automatically
> > >> >> >> > with loadpdb command, as
> > >> >> >> > Leap added 57 missing atoms according to residue templates:
> > >> >> >> > 57 H / lone pairs
> > >> >> >> > The file contained 3323 atoms not in residue templates
> > >> >> >> >
> > >> >> >> > And the total charge is 0 now, which should be +1 according to
> > the
> > >> >> >> protein's
> > >> >> >> > COO and NH3 sidechains (the sugar is neutral).
> > >> >> >> >
> > >> >> >> > Could anyone please help me out?
> > >> >> >> >
> > >> >> >> > Thank you.
> > >> >> >> >
> > >> >> >> > Yun
> > >> >> >> >
> > >> >> >> >
> > >> >> >> >
> > >> >> >> > On Fri, Aug 12, 2011 at 11:28 AM, Lachele Foley (Lists)
> > >> >> >> > <lf.list.gmail.com>wrote:
> > >> >> >> >
> > >> >> >> >> Before reordering, I would just insert TER cards between each
> > >> >> residue.
> > >> >> >> >> This will instruct leap not to try bonding them. Then, in
> > leap,
> > >> you
> > >> >> >> >> can use the "bond" command to link the residues together
> > >> properly.
> > >> >> >> >> Still laborious, but not quite as much.
> > >> >> >> >>
> > >> >> >> >> Sorry... no script.
> > >> >> >> >>
> > >> >> >> >>
> > >> >> >> >> On Fri, Aug 12, 2011 at 1:53 PM, Yun Shi <yunshi09.gmail.com
> >
> > >> wrote:
> > >> >> >> >> > Thanks a lot Lachele!
> > >> >> >> >> >
> > >> >> >> >> > You are right that the ordering of my molecule is reverse.
> > But
> > >> >> >> changing
> > >> >> >> >> the
> > >> >> >> >> > ordering manually seems to be laborious, do you have a
> script
> > >> to do
> > >> >> >> this
> > >> >> >> >> > kind of thing as there are also CONECT records in the pdb
> > file?
> > >> >> >> >> >
> > >> >> >> >> > Anyways, I will try changing the order manually first.
> > >> >> >> >> >
> > >> >> >> >> > Yun
> > >> >> >> >> >
> > >> >> >> >> > On Fri, Aug 12, 2011 at 10:29 AM, Lachele Foley (Lists)
> > >> >> >> >> > <lf.list.gmail.com>wrote:
> > >> >> >> >> >
> > >> >> >> >> >> The ordering of the atoms shouldn't matter. The ordering
> > of
> > >> the
> > >> >> >> >> >> residues can make a huge difference.
> > >> >> >> >> >>
> > >> >> >> >> >> For example, if you have DGlcpa1-4DManpA1-OH, the three
> > >> residues
> > >> >> are,
> > >> >> >> >> >> in the order of that string, "0GA", "4MA" and "ROH".
> > However,
> > >> in
> > >> >> the
> > >> >> >> >> >> pdb file, they need to be ordered ROH first, then 4MA and
> > 0GA.
> > >> >> >> >> >>
> > >> >> >> >> >> If the ordering is wrong, you can get around it by
> inserting
> > >> TER
> > >> >> >> cards
> > >> >> >> >> >> between all the residues and setting the bonding
> explicitly
> > in
> > >> >> tleap.
> > >> >> >> >> >>
> > >> >> >> >> >> If that still doesn't help, send me your pdb file (you
> don't
> > >> have
> > >> >> to
> > >> >> >> >> >> send to the list), and I'll help.
> > >> >> >> >> >>
> > >> >> >> >> >> :-) Lachele
> > >> >> >> >> >>
> > >> >> >> >> >>
> > >> >> >> >> >> On Fri, Aug 12, 2011 at 1:19 PM, Yun Shi <
> > yunshi09.gmail.com>
> > >> >> wrote:
> > >> >> >> >> >> > Thank you for the reply.
> > >> >> >> >> >> >
> > >> >> >> >> >> > But I want to keep the coordinates as in the original
> pdb
> > >> file,
> > >> >> and
> > >> >> >> I
> > >> >> >> >> do
> > >> >> >> >> >> > notice that the ordering of atoms in my pdb file are
> > >> different
> > >> >> from
> > >> >> >> >> >> GLYCAM
> > >> >> >> >> >> > convention.
> > >> >> >> >> >> >
> > >> >> >> >> >> > So could anyone suggest a way to format my
> oligosaccharide
> > >> in
> > >> >> >> >> accordance
> > >> >> >> >> >> > with GLYCAM06 while retaining the coordinates
> (structure)
> > of
> > >> my
> > >> >> >> >> original
> > >> >> >> >> >> pdb
> > >> >> >> >> >> > file?
> > >> >> >> >> >> >
> > >> >> >> >> >> > Thanks,
> > >> >> >> >> >> >
> > >> >> >> >> >> > Yun
> > >> >> >> >> >> >
> > >> >> >> >> >> >
> > >> >> >> >> >> > On Fri, Aug 12, 2011 at 10:00 AM, Oliver Grant <
> > >> >> >> >> olivercgrant.gmail.com
> > >> >> >> >> >> >wrote:
> > >> >> >> >> >> >
> > >> >> >> >> >> >> Hi,
> > >> >> >> >> >> >>
> > >> >> >> >> >> >> Not sure what the problem is without looking at your
> pdb
> > >> input
> > >> >> >> file.
> > >> >> >> >> I
> > >> >> >> >> >> >> suggest going to glycamweb and building your
> > >> oligosaccharide
> > >> >> and
> > >> >> >> >> >> comparing
> > >> >> >> >> >> >> that to what you have.
> > >> >> >> >> >> >>
> > >> >> >> >> >> >> Oliver
> > >> >> >> >> >> >>
> > >> >> >> >> >> >> On 12 August 2011 04:42, Yun Shi <yunshi09.gmail.com>
> > >> wrote:
> > >> >> >> >> >> >>
> > >> >> >> >> >> >> > Hi All,
> > >> >> >> >> >> >> >
> > >> >> >> >> >> >> > Sorry for this lower-level question, but I searched
> the
> > >> >> archive
> > >> >> >> and
> > >> >> >> >> >> still
> > >> >> >> >> >> >> > did not solve it.
> > >> >> >> >> >> >> >
> > >> >> >> >> >> >> > So I was trying to load a pdb file (only one
> > >> oligosaccharide
> > >> >> >> >> molecule)
> > >> >> >> >> >> >> > after
> > >> >> >> >> >> >> > source leaprc.GLYCAM_06, but what I got was
> > >> >> >> >> >> >> >
> > >> >> >> >> >> >> > ERROR: Comparing atoms
> > >> >> >> >> >> >> > .R<0hA 1>.A<C3 14>,
> > >> >> >> >> >> >> > .R<0hA 1>.A<C1 1>,
> > >> >> >> >> >> >> > .R<0hA 1>.A<H2 19>, and
> > >> >> >> >> >> >> > .R<0hA 1>.A<O2 20>
> > >> >> >> >> >> >> > to atoms
> > >> >> >> >> >> >> > .R<0hA 1>.A<C3 14>,
> > >> >> >> >> >> >> > .R<2hA 1>.A<C1 1>,
> > >> >> >> >> >> >> > .R<0hA 1>.A<H2 19>, and
> > >> >> >> >> >> >> > .R<0hA 1>.A<C1 1>
> > >> >> >> >> >> >> > This error may be due to faulty Connection
> atoms.
> > >> >> >> >> >> >> > !FATAL ERROR----------------------------------------
> > >> >> >> >> >> >> > !FATAL: In file [chirality.c], line 140
> > >> >> >> >> >> >> > !FATAL: Message: Atom named C1 from 2hA did not
> > match
> > >> !
> > >> >> >> >> >> >> > !
> > >> >> >> >> >> >> > !ABORTING.
> > >> >> >> >> >> >> >
> > >> >> >> >> >> >> > So what it really means by "faulty Connection atoms"?
> I
> > >> have
> > >> >> >> >> already
> > >> >> >> >> >> >> > changed
> > >> >> >> >> >> >> > the sugar names according to GLYCAM naming
> convention.
> > >> >> >> >> >> >> >
> > >> >> >> >> >> >> > Any help is appreciated!
> > >> >> >> >> >> >> >
> > >> >> >> >> >> >> > Yun
> > >> >> >> >> >> >> > _______________________________________________
> > >> >> >> >> >> >> > 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
> > >> >> >> >> >> >
> > >> >> >> >> >>
> > >> >> >> >> >>
> > >> >> >> >> >>
> > >> >> >> >> >> --
> > >> >> >> >> >> :-) Lachele
> > >> >> >> >> >> Lachele Foley
> > >> >> >> >> >> CCRC/UGA
> > >> >> >> >> >> Athens, GA USA
> > >> >> >> >> >>
> > >> >> >> >> >> _______________________________________________
> > >> >> >> >> >> 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
> > >> >> >> >> >
> > >> >> >> >>
> > >> >> >> >>
> > >> >> >> >>
> > >> >> >> >> --
> > >> >> >> >> :-) Lachele
> > >> >> >> >> Lachele Foley
> > >> >> >> >> CCRC/UGA
> > >> >> >> >> Athens, GA USA
> > >> >> >> >>
> > >> >> >> >> _______________________________________________
> > >> >> >> >> 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
> > >> >> >> >
> > >> >> >>
> > >> >> >>
> > >> >> >>
> > >> >> >> --
> > >> >> >> :-) Lachele
> > >> >> >> Lachele Foley
> > >> >> >> CCRC/UGA
> > >> >> >> Athens, GA USA
> > >> >> >>
> > >> >> >> _______________________________________________
> > >> >> >> 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
> > >> >> >
> > >> >>
> > >> >>
> > >> >>
> > >> >> --
> > >> >> :-) Lachele
> > >> >> Lachele Foley
> > >> >> CCRC/UGA
> > >> >> Athens, GA USA
> > >> >>
> > >> >> _______________________________________________
> > >> >> 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
> > >> >
> > >>
> > >>
> > >>
> > >> --
> > >> :-) Lachele
> > >> Lachele Foley
> > >> CCRC/UGA
> > >> Athens, GA USA
> > >>
> > >> _______________________________________________
> > >> 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
> >
> >
>
>
> --
> :-) Lachele
> Lachele Foley
> CCRC/UGA
> Athens, GA USA
> _______________________________________________
> 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
Received on Tue Aug 16 2011 - 11:30:02 PDT
