Re: [gmx-users] g_clustsize and monomers

2011-03-27 Thread devicerandom
On 27/03/11 20:55, David van der Spoel wrote: On 2011-03-27 21.27, devicerandom wrote: On 27/03/11 16:29, David van der Spoel wrote: On 2011-03-27 16.42, devicerandom wrote: Hi, I am trying to use g_clustsize to follow aggregation of peptides. I am currently using the following line: g_clust

Re: [gmx-users] g_clustsize and monomers

2011-03-27 Thread David van der Spoel
On 2011-03-27 21.27, devicerandom wrote: On 27/03/11 16:29, David van der Spoel wrote: On 2011-03-27 16.42, devicerandom wrote: Hi, I am trying to use g_clustsize to follow aggregation of peptides. I am currently using the following line: g_clustsize -f my.trr -s ../my.tpr -nc nclusters.xvg -

Re: [gmx-users] g_clustsize and monomers

2011-03-27 Thread devicerandom
On 27/03/11 16:29, David van der Spoel wrote: On 2011-03-27 16.42, devicerandom wrote: Hi, I am trying to use g_clustsize to follow aggregation of peptides. I am currently using the following line: g_clustsize -f my.trr -s ../my.tpr -nc nclusters.xvg -mol Problem is, it actually counts monome

Re: [gmx-users] g_clustsize and monomers

2011-03-27 Thread David van der Spoel
On 2011-03-27 16.42, devicerandom wrote: Hi, I am trying to use g_clustsize to follow aggregation of peptides. I am currently using the following line: g_clustsize -f my.trr -s ../my.tpr -nc nclusters.xvg -mol Problem is, it actually counts monomers as clusters. I have a system with 125 separa

[gmx-users] g_clustsize and monomers

2011-03-27 Thread devicerandom
Hi, I am trying to use g_clustsize to follow aggregation of peptides. I am currently using the following line: g_clustsize -f my.trr -s ../my.tpr -nc nclusters.xvg -mol Problem is, it actually counts monomers as clusters. I have a system with 125 separate molecules, and the number of cluster