Re: [gmx-users] a qiestion about using g_cluster

Hi Li, I think g_cluster will do a removing of translation and rotation displacement automatically. I am not quite sure whether it will do such part on the group of atoms I pick in the index file? If so is there any way I can specify which region to do the removement or if I can simply turn o

Re: [gmx-users] a qiestion about using g_cluster

Marcus Kubitzki writes: Hi Li, first, generate an appropriate index file with make_ndx. There you can select the loops you want to analyze. Second, run g_cluster -s -f -n. Marcus Li Su wrote: Dear Sir/Madam, I am trying to use g_cluster to clusterize my protein trajectories. The proein co

Re: [gmx-users] a qiestion about using g_cluster

Hi Li, first, generate an appropriate index file with make_ndx. There you can select the loops you want to analyze. Second, run g_cluster -s -f -n. Marcus Li Su wrote: Dear Sir/Madam, I am trying to use g_cluster to clusterize my protein trajectories. The proein core is very rigid, only loops

[gmx-users] a qiestion about using g_cluster

Dear Sir/Madam, I am trying to use g_cluster to clusterize my protein trajectories. The proein core is very rigid, only loops will fluctuate. When I clusterize I want to clusterize only on the loops in stead of the whole protein. But when I use g_cluster it only offer choices on whole protein o