[gmx-users] g_cluster segmentation fault

(onlyba.gro) and matrix file (dmat_1.xpm) are attached (and since they are short also pasted below). Any help on this would be greatly appreciated! Regards, Craig Craig Kitchen Department of Chemistry University of Cambridge Lensfield Road Cambridge CB2 1EW UK Generated by trjconv : Coarse-Grained

[gmx-users] Re: g_cluster segmentation fault

Hi Mark, Works perfectly... Thanks, Craig Craig Kitchen Department of Chemistry University of Cambridge Lensfield Road Cambridge CB2 1EW UK On 26/03/11, Craig Kitchen wrote: Dear All, When running g_cluster on a file generated with g_mdmat I receive a segmentation fault. I have tried

[gmx-users] Position restraints with multiple identical molecules

his case, how do you restrain the position of atom 2,3,4 and 5? Craig Craig Kitchen Department of Chemistry University of Cambridge Lensfield Road Cambridge CB2 1EW UK topol.top: [ moleculetype ] ; Atom ; Name nrexcl UNK3 [ atoms ] ; nr type resnr resid atom cgnr c

Re: [gmx-users] Position restraints with multiple identical molecules

mplies there is one position restraint on atom 1 (index 0 I guess). Craig Craig Kitchen wrote: Dear All, My system consists of 32 identical molecules (with 91 atoms per molecule). I would like to apply a position restraint to the 91st atom of each molecules. Since all my molecules are identical I

Re: [gmx-users] Position restraints with multiple identical molecules

Hi Justin, Ok - the .tpr file only lists the atoms from the molecule type. I get it now. Thanks again! Craig On 16 Jun 2011, at 12:58, Justin A. Lemkul wrote: Craig Kitchen wrote: Dear All, My system consists of 32 identical molecules (with 91 atoms per molecule). I would like to apply