Dear Christoph, "csg_dump --top topol_cg.tpr --excl" seems to give the same result. Does this result mean that potentials from IBI does not consider the 1-2 and 1-3 interactions? Therefore, I should not apply 1-2 and 1-3 interaction in lammps simulation, should I?
There is a special command in lammps as "special_bonds" command which set up 1-2, 1-3, 1-4 pair interactions in intramolecule. When I exclude the 1-3 interaction, the system densities both in liquid and glassy are higher than reference atomistic densities. But when I included 1-3 interaction, the densities were close to reference densities. Are there any problems during deriving CG potentials from IBI? I checked the rdfs during IBI and most rdfs are in good agreement with reference rdfs obtained from atomistic trajectory. Do you have any comments on that? I have 600 beads in 200 molecules List of exclusions: 1 2 3 2 3 4 5 6 5 6 7 8 9 8 9 10 11 12 11 12 13 14 15 ... Thank you. Best regards, Changwoon Jang On Tue, Jun 28, 2016 at 1:35 PM, Christoph Junghans <[email protected]> wrote: > 2016-06-28 11:21 GMT-06:00 Chang Woon Jang <[email protected]>: > > Dear Christoph, > > > > I got the exclusion list as follows. > > > > I have 600 beads in 200 molecules for the coarsegraining > > > > List of exclusions: > > 1 3 2 > > 2 3 > > 4 6 5 > > 5 6 > > 7 9 8 > > 8 9 > > 10 12 11 > > 11 12 > > 13 15 14 > > 14 15 > > 16 18 17 > > 17 18 > > 19 21 20 > > 20 21 > > 22 24 23 > > 23 24 > > ... > > > > > > > > Does this mean that rdf calculations in my system only excluded these > bonded > > pairs of interactions? > It looks like bead #1 is excluded with #2 and #3. And bead #2 with #3. > So it seems 1-3 interaction are excluded when the atomistic case gets > mapped. > > Did you check the exclusion in the coarse-grained setup (for IBI) as well? > E.g. > $ csg_dump --top topol_cg.xml --excl > > > Also, I have to exclude 1-3 pairs of interactions in lammps simulation? > The output of csg_dump will show you what VOTCA sees and hence how the > rdf is calculated, so check that first. > > Christoph > > > > Thank you. > > > > Best regards, > > Changwoon Jang > > > > On Tue, Jun 28, 2016 at 1:03 PM, Christoph Junghans <[email protected]> > > wrote: > >> > >> 2016-06-28 10:21 GMT-06:00 Chang Woon Jang <[email protected]>: > >> > Dear Christoph, > >> > > >> > I have tried, > >> > > >> > 1. csg_stat --cg DGA.xml --top topol.xml --excl > >> > 2. csg_stat --cg DGA.xml --top topol.tpr --excl > >> > 3. csg_stat --cg DGA.xml --top topol.top --excl > >> Sorry, I meant > >> $ csg_dump --cg DGA.xml --top topol.xml --excl > >> > >> Christoph > >> > >> > > >> > but those gave errors > >> > > >> > an error occurred: > >> > error parsing command line: unrecognised option '%canonical_option%' > >> > > >> > How can I fix this problem? > >> > > >> > Thank you. > >> > > >> > Best regards, > >> > Changwoon Jang > >> > > >> > > >> > On Tue, Jun 28, 2016 at 12:11 PM, Christoph Junghans > >> > <[email protected]> > >> > wrote: > >> >> > >> >> 2016-06-28 8:34 GMT-06:00 Chang Woon Jang <[email protected]>: > >> >> > Dear Christoph, > >> >> > > >> >> > Thank you for your response. How do I define exclusion of angle > >> >> > in > >> >> > mapping file, xml? > >> >> The <angle> block below will automatically generate exclusions. > >> >> Check it with: > >> >> $ csg_stat --cg DGA.xml --top topol.xml --excl > >> >> > >> >> Christoph > >> >> > > >> >> > "csg_stat" needs two types xml files, one for molecule (DGA.xml) > and > >> >> > one > >> >> > for > >> >> > fmatch.xml. > >> >> > > >> >> > Where do I define the exclusion of angle or bond during rdf > >> >> > calculation? > >> >> > > >> >> > The following is a molecule xml mapping file. famtch.xml from > >> >> > tutorials > >> >> > has > >> >> > no exclusion information. > >> >> > > >> >> > Thank you. > >> >> > > >> >> > Best regards, > >> >> > Changwoon Jang > >> >> > > >> >> > <cg_molecule> > >> >> > <name>Other_chain_A</name> > >> >> > <ident>Other_chain_A</ident> > >> >> > <topology> > >> >> > <cg_beads> > >> >> > <cg_bead> > >> >> > <name>A1</name> > >> >> > <type>A</type> > >> >> > <mapping>A</mapping> > >> >> > <beads>1:DGA:O 1:DGA:O1 1:DGA:C 1:DGA:C1 1:DGA:C2 1:DGA:C3 > >> >> > 1:DGA:C4 > >> >> > 1:DGA:C5 1:DGA:C6 1:DGA:C7 1:DGA:C8 1:DGA:H 1:DGA:H1 1:DGA:H2 > >> >> > 1:DGA:H3 > >> >> > 1:DGA:H4 1:DGA:H5 1:DGA:H6 1:DGA:H7 1:DGA:H8 1:DGA:H9 > >> >> > 1:DGA:H10</beads> > >> >> > </cg_bead> > >> >> > <cg_bead> > >> >> > <name>A2</name> > >> >> > <type>A</type> > >> >> > <mapping>A</mapping> > >> >> > <beads>1:DGA:O2 1:DGA:O3 1:DGA:C12 1:DGA:C13 1:DGA:C14 > >> >> > 1:DGA:C15 > >> >> > 1:DGA:C16 1:DGA:C17 1:DGA:C18 1:DGA:C19 1:DGA:C20 1:DGA:H17 > 1:DGA:H18 > >> >> > 1:DGA:H19 1:DGA:H20 1:DGA:H21 1:DGA:H22 1:DGA:H23 1:DGA:H24 > 1:DGA:H25 > >> >> > 1:DGA:H26 1:DGA:H27</beads> > >> >> > </cg_bead> > >> >> > <cg_bead> > >> >> > <name>B1</name> > >> >> > <type>B</type> > >> >> > <mapping>B</mapping> > >> >> > <beads>1:DGA:C9 1:DGA:C10 1:DGA:C11 1:DGA:H11 1:DGA:H12 > >> >> > 1:DGA:H13 > >> >> > 1:DGA:H14 1:DGA:H15 1:DGA:H16</beads> > >> >> > </cg_bead> > >> >> > </cg_beads> > >> >> > <cg_bonded> > >> >> > <bond> > >> >> > <name>bond</name> > >> >> > <beads> > >> >> > A1 B1 > >> >> > A2 B1 > >> >> > </beads> > >> >> > </bond> > >> >> > <angle> > >> >> > <name>angle</name> > >> >> > <beads> > >> >> > A1 B1 A2 > >> >> > </beads> > >> >> > </angle> > >> >> > </cg_bonded> > >> >> > </topology> > >> >> > <maps> > >> >> > <map> > >> >> > <name>A</name> > >> >> > <weights>16 16 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 > 1 1 > >> >> > 1</weights> > >> >> > </map> > >> >> > <map> > >> >> > <name>B</name> > >> >> > <weights>12 12 12 1 1 1 1 1 1</weights> > >> >> > </map> > >> >> > </maps> > >> >> > </cg_molecule> > >> >> > > >> >> > On Tue, Jun 28, 2016 at 10:00 AM, Christoph Junghans > >> >> > <[email protected]> > >> >> > wrote: > >> >> >> > >> >> >> 2016-06-27 15:33 GMT-06:00 Chang Woon Jang > >> >> >> <[email protected]>: > >> >> >> > Dear Christoph, > >> >> >> > > >> >> >> > > >> >> >> > I am correcting the previous question. > >> >> >> > > >> >> >> > > >> >> >> > Thank you for the clarification of the list. I have another > >> >> >> > question. > >> >> >> > A > >> >> >> > molecule is bonded with A-B-C beads. The first bead (A) is > mapped > >> >> >> > with > >> >> >> > atoms > >> >> >> > from 1 to 22 and the second bead (B) is mapped with atoms from > 23 > >> >> >> > to > >> >> >> > 31, > >> >> >> > and > >> >> >> > the third bead (C) is mapped with 32 to 53. In this exclusion > >> >> >> > lists, > >> >> >> > the > >> >> >> > first bead (A) and third bead (C) seem to interact each other. > It > >> >> >> > look > >> >> >> > like > >> >> >> > that the atoms in A bead are fairly (not fully) interacted with > >> >> >> > the > >> >> >> > atoms in > >> >> >> > C bead. Therefore, A-C radial distribution function seems to > >> >> >> > include > >> >> >> > 1-3 > >> >> >> > (A-C) interactions somewhat. Is this correct? > >> >> >> If the exclusion list says they are not excluded, so be it. You > can > >> >> >> add an angle between A-B-C (or a bond between A-C) in the mapping > >> >> >> file > >> >> >> to exclude them in rdf calculation. > >> >> >> > >> >> >> Christoph > >> >> >> > >> >> >> > > >> >> >> > Thank you. > >> >> >> > > >> >> >> > Best regards, > >> >> >> > Changwoon Jang > >> >> >> > > >> >> >> > On Mon, Jun 27, 2016 at 5:24 PM, Chang Woon Jang > >> >> >> > <[email protected]> > >> >> >> > wrote: > >> >> >> >> > >> >> >> >> Dear Christoph, > >> >> >> >> > >> >> >> >> Thank you for the clarification of the list. I have another > >> >> >> >> question. A > >> >> >> >> molecule is bonded with A-B-C beads. The first bead (A) is > mapped > >> >> >> >> with > >> >> >> >> atoms > >> >> >> >> from 1 to 22 and the second bead (B) is mapped with atoms from > 23 > >> >> >> >> to > >> >> >> >> 31, and > >> >> >> >> the third bead (C) is mapped with 32 to 53. In this exclusion > >> >> >> >> lists, > >> >> >> >> the > >> >> >> >> first bead (A) and third bead (C) seem to interact each other. > It > >> >> >> >> look > >> >> >> >> like > >> >> >> >> that the atoms in A bead are fully interacted with the atoms > in C > >> >> >> >> bead. > >> >> >> >> Therefore, A-C radial distribution function seems to include > 1-3 > >> >> >> >> (A-C) > >> >> >> >> interactions. Is this correct? > >> >> >> >> > >> >> >> >> Thank you. > >> >> >> >> > >> >> >> >> Best regards, > >> >> >> >> Changwoon Jang > >> >> >> >> > >> >> >> >> On Mon, Jun 27, 2016 at 5:03 PM, Christoph Junghans > >> >> >> >> <[email protected]> > >> >> >> >> wrote: > >> >> >> >>> > >> >> >> >>> 2016-06-27 13:37 GMT-06:00 Chang Woon Jang > >> >> >> >>> <[email protected]>: > >> >> >> >>> > Dear Christoph, > >> >> >> >>> > > >> >> >> >>> > > >> >> >> >>> > I tested the following command. > >> >> >> >>> > > >> >> >> >>> > csg_dump --top topol.tpr --excl > exclusion_list > >> >> >> >>> > > >> >> >> >>> > In the exclusion_list file, the number are listed like > >> >> >> >>> > > >> >> >> >>> > I have 15000 beads in 300 molecules > >> >> >> >>> > > >> >> >> >>> > List of exclusions: > >> >> >> >>> > 1 2 3 4 5 6 7 8 9 10 11 12 > >> >> >> >>> > 2 3 4 5 6 7 9 > >> >> >> >>> > 3 4 5 6 7 9 > >> >> >> >>> > 4 5 6 7 9 > >> >> >> >>> > 5 6 7 8 9 10 11 12 13 > >> >> >> >>> > 6 7 8 9 10 11 12 > >> >> >> >>> > 7 8 9 10 11 12 > >> >> >> >>> > 8 9 > >> >> >> >>> > 9 10 11 12 13 14 21 > >> >> >> >>> > 10 11 12 13 > >> >> >> >>> > 11 12 13 > >> >> >> >>> > 12 13 14 15 16 19 21 22 > >> >> >> >>> > 13 14 15 16 17 19 20 21 22 > >> >> >> >>> > 18 13 14 15 16 17 19 20 21 22 23 24 25 26 27 28 29 30 31 32 > 33 > >> >> >> >>> > 40 > >> >> >> >>> > ... > >> >> >> >>> > > >> >> >> >>> > > >> >> >> >>> > What do these numbers mean? The first line has 1 2 3 4 5 6 > 7 8 > >> >> >> >>> > 9 > >> >> >> >>> > 10 > >> >> >> >>> > 11 > >> >> >> >>> > 12. I > >> >> >> >>> > do not know what this series of numbers. > >> >> >> >>> It means, atom #1 is exclude with 2, 3, 4, ... > >> >> >> >>> > >> >> >> >>> > > >> >> >> >>> > However, it seems that csg_stat excluded the pairs of beads > >> >> >> >>> > directly > >> >> >> >>> > bonded. > >> >> >> >>> > Therefore, I do not need consider the 1-3 interactions in CG > >> >> >> >>> > system > >> >> >> >>> > in > >> >> >> >>> > lammps. > >> >> >> >>> > > >> >> >> >>> > > >> >> >> >>> > I am not sure why the density is higher than atomistic > >> >> >> >>> > reference > >> >> >> >>> > density > >> >> >> >>> > when I do not apply 1-3 interactions. I have driven > tabulated > >> >> >> >>> > potential > >> >> >> >>> > using ibi pressure correction method. Are there any > >> >> >> >>> > suggestions > >> >> >> >>> > for > >> >> >> >>> > better > >> >> >> >>> > CG simulation to fix the density? > >> >> >> >>> > > >> >> >> >>> > Thank you. > >> >> >> >>> > > >> >> >> >>> > Best regards, > >> >> >> >>> > Changwoon Jang > >> >> >> >>> > > >> >> >> >>> > > >> >> >> >>> > > >> >> >> >>> > On Mon, Jun 27, 2016 at 3:15 PM, Christoph Junghans > >> >> >> >>> > <[email protected]> > >> >> >> >>> > wrote: > >> >> >> >>> >> > >> >> >> >>> >> 2016-06-27 12:58 GMT-06:00 Chang Woon Jang > >> >> >> >>> >> <[email protected]>: > >> >> >> >>> >> > Dear VOTCA users, > >> >> >> >>> >> > > >> >> >> >>> >> > I have a question about radial distribution functions > >> >> >> >>> >> > from > >> >> >> >>> >> > csg_stat. > >> >> >> >>> >> > > >> >> >> >>> >> > I have obtained radial distribution functions and used > them > >> >> >> >>> >> > for > >> >> >> >>> >> > iterative > >> >> >> >>> >> > boltzmann inversion to derive non-bonded tabulated > >> >> >> >>> >> > potentials. > >> >> >> >>> >> > After > >> >> >> >>> >> > some > >> >> >> >>> >> > iterations, the calculated radial distribution functions > >> >> >> >>> >> > were > >> >> >> >>> >> > well > >> >> >> >>> >> > matched > >> >> >> >>> >> > with reference RDF from csg_stat. Then, I used the > obtained > >> >> >> >>> >> > tabulated > >> >> >> >>> >> > potentials for lammps simulations. > >> >> >> >>> >> > > >> >> >> >>> >> > From the lammps simulation with tabulated potentials, > >> >> >> >>> >> > the > >> >> >> >>> >> > liquid > >> >> >> >>> >> > polymer > >> >> >> >>> >> > system has higher density (1.3 g/cc) than the > experimental > >> >> >> >>> >> > density > >> >> >> >>> >> > (1.07 > >> >> >> >>> >> > g/cc) when I do not consider 1-3 bead pairs which are > those > >> >> >> >>> >> > separated by > >> >> >> >>> >> > 3 > >> >> >> >>> >> > bonds. However, when I applied 1-3 interactions, the > >> >> >> >>> >> > simulational > >> >> >> >>> >> > density is > >> >> >> >>> >> > in good agreement with experimental density. > >> >> >> >>> >> > > >> >> >> >>> >> > I think that the reference radial distribution > >> >> >> >>> >> > functions > >> >> >> >>> >> > from > >> >> >> >>> >> > csg_stat > >> >> >> >>> >> > are calculated with pairs of beads directly bonded to > each > >> >> >> >>> >> > other > >> >> >> >>> >> > as > >> >> >> >>> >> > well > >> >> >> >>> >> > as > >> >> >> >>> >> > non-bonded pairs. > >> >> >> >>> >> > > >> >> >> >>> >> > Is this correct? > >> >> >> >>> >> This depends on your topology file. csg_stat excludes bonds > >> >> >> >>> >> and > >> >> >> >>> >> angles > >> >> >> >>> >> automatically. > >> >> >> >>> >> However, if you have a topology file without bonds and > >> >> >> >>> >> angles, > >> >> >> >>> >> they > >> >> >> >>> >> wont' be excluded. > >> >> >> >>> >> To check use: > >> >> >> >>> >> $ csg_dump --top topol.xml --excl > >> >> >> >>> >> > >> >> >> >>> >> Christoph > >> >> >> >>> >> > > >> >> >> >>> >> > Thank you. > >> >> >> >>> >> > > >> >> >> >>> >> > Best regards, > >> >> >> >>> >> > Changwoon Jang > >> >> >> >>> >> > > >> >> >> >>> >> > > >> >> >> >>> >> > -- > >> >> >> >>> >> > You received this message because you are subscribed to > the > >> >> >> >>> >> > Google > >> >> >> >>> >> > Groups > >> >> >> >>> >> > "votca" group. > >> >> >> >>> >> > To unsubscribe from this group and stop receiving emails > >> >> >> >>> >> > from > >> >> >> >>> >> > it, > >> >> >> >>> >> > send > >> >> >> >>> >> > an > >> >> >> >>> >> > email to [email protected]. > >> >> >> >>> >> > To post to this group, send email to > >> >> >> >>> >> > [email protected]. > >> >> >> >>> >> > Visit this group at > https://groups.google.com/group/votca. > >> >> >> >>> >> > For more options, visit > https://groups.google.com/d/optout. > >> >> >> >>> >> > >> >> >> >>> >> > >> >> >> >>> >> > >> >> >> >>> >> -- > >> >> >> >>> >> Christoph Junghans > >> >> >> >>> >> Web: http://www.compphys.de > >> >> >> >>> >> > >> >> >> >>> >> -- > >> >> >> >>> >> You received this message because you are subscribed to the > >> >> >> >>> >> Google > >> >> >> >>> >> Groups > >> >> >> >>> >> "votca" group. > >> >> >> >>> >> To unsubscribe from this group and stop receiving emails > from > >> >> >> >>> >> it, > >> >> >> >>> >> send > >> >> >> >>> >> an > >> >> >> >>> >> email to [email protected]. > >> >> >> >>> >> To post to this group, send email to > [email protected]. > >> >> >> >>> >> Visit this group at https://groups.google.com/group/votca. > >> >> >> >>> >> For more options, visit https://groups.google.com/d/optout > . > >> >> >> >>> > > >> >> >> >>> > -- > >> >> >> >>> > You received this message because you are subscribed to the > >> >> >> >>> > Google > >> >> >> >>> > Groups > >> >> >> >>> > "votca" group. > >> >> >> >>> > To unsubscribe from this group and stop receiving emails > from > >> >> >> >>> > it, > >> >> >> >>> > send > >> >> >> >>> > an > >> >> >> >>> > email to [email protected]. > >> >> >> >>> > To post to this group, send email to [email protected] > . > >> >> >> >>> > Visit this group at https://groups.google.com/group/votca. > >> >> >> >>> > For more options, visit https://groups.google.com/d/optout. > >> >> >> >>> > >> >> >> >>> > >> >> >> >>> > >> >> >> >>> -- > >> >> >> >>> Christoph Junghans > >> >> >> >>> Web: http://www.compphys.de > >> >> >> >>> > >> >> >> >>> -- > >> >> >> >>> You received this message because you are subscribed to the > >> >> >> >>> Google > >> >> >> >>> Groups > >> >> >> >>> "votca" group. > >> >> >> >>> To unsubscribe from this group and stop receiving emails from > >> >> >> >>> it, > >> >> >> >>> send > >> >> >> >>> an > >> >> >> >>> email to [email protected]. > >> >> >> >>> To post to this group, send email to [email protected]. > >> >> >> >>> Visit this group at https://groups.google.com/group/votca. > >> >> >> >>> For more options, visit https://groups.google.com/d/optout. > >> >> >> >> > >> >> >> >> > >> >> >> >> > >> >> >> >> > >> >> >> >> -- > >> >> >> >> Best regards, > >> >> >> >> Changwoon Jang, > >> >> >> >> > >> >> >> >> Postdoctoral Research Fellow > >> >> >> >> Department of Chemical & Biological Engineering, Drexel > >> >> >> >> University > >> >> >> >> 3141 Chestnut Street, Philadelphia, PA 19104 > >> >> >> >> > >> >> >> >> Voice: (662) 617-2267 > >> >> >> >> E-mail: [email protected] > >> >> >> > > >> >> >> > > >> >> >> > -- > >> >> >> > You received this message because you are subscribed to the > Google > >> >> >> > Groups > >> >> >> > "votca" group. > >> >> >> > To unsubscribe from this group and stop receiving emails from > it, > >> >> >> > send > >> >> >> > an > >> >> >> > email to [email protected]. > >> >> >> > To post to this group, send email to [email protected]. > >> >> >> > Visit this group at https://groups.google.com/group/votca. > >> >> >> > For more options, visit https://groups.google.com/d/optout. > >> >> >> > >> >> >> > >> >> >> > >> >> >> -- > >> >> >> Christoph Junghans > >> >> >> Web: http://www.compphys.de > >> >> >> > >> >> >> -- > >> >> >> You received this message because you are subscribed to the Google > >> >> >> Groups > >> >> >> "votca" group. > >> >> >> To unsubscribe from this group and stop receiving emails from it, > >> >> >> send > >> >> >> an > >> >> >> email to [email protected]. > >> >> >> To post to this group, send email to [email protected]. > >> >> >> Visit this group at https://groups.google.com/group/votca. > >> >> >> For more options, visit https://groups.google.com/d/optout. > >> >> > > >> >> > > >> >> > -- > >> >> > You received this message because you are subscribed to the Google > >> >> > Groups > >> >> > "votca" group. > >> >> > To unsubscribe from this group and stop receiving emails from it, > >> >> > send > >> >> > an > >> >> > email to [email protected]. > >> >> > To post to this group, send email to [email protected]. > >> >> > Visit this group at https://groups.google.com/group/votca. > >> >> > For more options, visit https://groups.google.com/d/optout. > >> >> > >> >> > >> >> > >> >> -- > >> >> Christoph Junghans > >> >> Web: http://www.compphys.de > >> >> > >> >> -- > >> >> You received this message because you are subscribed to the Google > >> >> Groups > >> >> "votca" group. > >> >> To unsubscribe from this group and stop receiving emails from it, > send > >> >> an > >> >> email to [email protected]. > >> >> To post to this group, send email to [email protected]. > >> >> Visit this group at https://groups.google.com/group/votca. > >> >> For more options, visit https://groups.google.com/d/optout. > >> > > >> > > >> > > >> > > >> > -- > >> > Best regards, > >> > Changwoon Jang, > >> > > >> > Postdoctoral Research Fellow > >> > Department of Chemical & Biological Engineering, Drexel University > >> > 3141 Chestnut Street, Philadelphia, PA 19104 > >> > > >> > Voice: (662) 617-2267 > >> > E-mail: [email protected] > >> > > >> > -- > >> > You received this message because you are subscribed to the Google > >> > Groups > >> > "votca" group. > >> > To unsubscribe from this group and stop receiving emails from it, send > >> > an > >> > email to [email protected]. > >> > To post to this group, send email to [email protected]. > >> > Visit this group at https://groups.google.com/group/votca. > >> > For more options, visit https://groups.google.com/d/optout. > >> > >> > >> > >> -- > >> Christoph Junghans > >> Web: http://www.compphys.de > >> > >> -- > >> You received this message because you are subscribed to the Google > Groups > >> "votca" group. > >> To unsubscribe from this group and stop receiving emails from it, send > an > >> email to [email protected]. > >> To post to this group, send email to [email protected]. > >> Visit this group at https://groups.google.com/group/votca. > >> For more options, visit https://groups.google.com/d/optout. > > > > > > > > > > -- > > Best regards, > > Changwoon Jang, > > > > Postdoctoral Research Fellow > > Department of Chemical & Biological Engineering, Drexel University > > 3141 Chestnut Street, Philadelphia, PA 19104 > > > > Voice: (662) 617-2267 > > E-mail: [email protected] > > > > -- > > You received this message because you are subscribed to the Google Groups > > "votca" group. > > To unsubscribe from this group and stop receiving emails from it, send an > > email to [email protected]. > > To post to this group, send email to [email protected]. > > Visit this group at https://groups.google.com/group/votca. > > For more options, visit https://groups.google.com/d/optout. > > > > -- > Christoph Junghans > Web: http://www.compphys.de > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at https://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. > -- Best regards, Changwoon Jang, Postdoctoral Research Fellow Department of Chemical & Biological Engineering, Drexel University 3141 Chestnut Street, Philadelphia, PA 19104 Voice: (662) 617-2267 E-mail: [email protected] -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
