[gmx-users] pull code problem: between protofilaments

2011-10-02 Thread chris . neale
Dear Shilpi: Can you use something like this? pull = umbrella pull_geometry= position pull_dim = N N Y pull_vec1= 0 0 0 pull_start = no pull_ngroups = 1 pull_group0 = PRO-1 pull_pbcatom0

[gmx-users] Adjust the screen's output frequency

2011-10-02 Thread 杜波
How to change the screen's output frequency? ol 0.85 imb F 6% step 4188000, remaining runtime: 174 s vol 0.87 imb F 3% step 4188100, remaining runtime: 174 s vol 0.86 imb F 1% step 4188200, remaining runtime: 174 s vol 0.86 imb F 4% step 4188300, remaining runtime: 174 s vol 0.88

Re: [gmx-users] Adjust the screen's output frequency

2011-10-02 Thread David van der Spoel
On 2011-10-02 17:14, 杜波 wrote: How to change the screen's output frequency? ol 0.85 imb F 6% step 4188000, remaining runtime: 174 s vol 0.87 imb F 3% step 4188100, remaining runtime: 174 s vol 0.86 imb F 1% step 4188200, remaining runtime: 174 s vol 0.86 imb F 4% step 4188300, rema

[gmx-users] g_clustsize and temp.xvg

2011-10-02 Thread Dr. Vitaly V. Chaban
According to the description of the g_clustsize utility, it should create the file "temp.xvg" containing the temperature of the largest cluster versus time. While other files from g_clustsize are created correctly, the "temp.xvg" is always empty. What is printed follows: ---

Re: [gmx-users] g_clustsize and temp.xvg

2011-10-02 Thread Mark Abraham
On 3/10/2011 1:55 PM, Dr. Vitaly V. Chaban wrote: According to the description of the g_clustsize utility, it should create the file "temp.xvg" containing the temperature of the largest cluster versus time. While other files from g_clustsize are created correctly, the "temp.xvg" is always empty.