Re: [gmx-users] trjconv and g_clustsize

2011-12-27 Thread mohammad agha
the same previous problem. May I ask you to help me, please? Best Regards Sara From: Mark Abraham mark.abra...@anu.edu.au To: Discussion list for GROMACS users gmx-users@gromacs.org Sent: Monday, December 26, 2011 4:20 PM Subject: Re: [gmx-users] trjconv

[gmx-users] trjconv and g_clustsize

2011-12-26 Thread mohammad agha
Dear Prof. I have several questions about trjconv, please help me. In my simulation is created 2 micelles. 1- When I do 3 steps of micelle clustering as follows:   a- trjconv -f md.xtc -o a_cluster.gro-e 60 -pbc cluster  b- grompp -f md.mdp -c a_cluster.gro -o a_cluster.tpr  c- trjconv -f

Re: [gmx-users] trjconv and g_clustsize

2011-12-26 Thread Mark Abraham
On 12/26/2011 7:53 PM, mohammad agha wrote: Dear Prof. I have several questions about trjconv, please help me. In my simulation is created 2 micelles. 1- When I do 3 steps of micelle clustering as follows: a- |trjconv -f md.xtc -o a_cluster.gro-e 60 -pbc cluster| | b- ||grompp -f md.mdp