Re: [gmx-users] confusion regarding tpbconv

2008-05-12 Thread Mark Abraham
Anamika Awasthi wrote: Dear Xavier Thanks for your help, after running my tpbconv I got this Telling us the command line might be helpful! Reading toplogy and shit from 2ao2_tpxout.tpr Reading file 2ao2_tpxout.tpr, VERSION 3.3 (single precision) READING COORDS, VELS AND BOX FROM TRAJECTORY

[gmx-users] confusion regarding tpbconv

2008-05-12 Thread Anamika Awasthi
Dear Xavier Thanks for your help, after running my tpbconv I got this Reading toplogy and shit from 2ao2_tpxout.tpr Reading file 2ao2_tpxout.tpr, VERSION 3.3 (single precision) READING COORDS, VELS AND BOX FROM TRAJECTORY 2ao2_tpxout.trr... trn version: GMX_trn_file (single precision) Read fra

Re: [gmx-users] confusion regarding tpbconv

2008-05-12 Thread Xavier Periole
On Mon, 12 May 2008 15:10:32 +0530 "Anamika Awasthi" <[EMAIL PROTECTED]> wrote: Dear Friends, If my simulation crashed because of power failure, then as I know there are two option to restart the Job. One is GROMPP and another is 'tpbconv', in 'grompp' we have to do some changes i

[gmx-users] confusion regarding tpbconv

2008-05-12 Thread Anamika Awasthi
Dear Friends, If my simulation crashed because of power failure, then as I know there are two option to restart the Job. One is GROMPP and another is 'tpbconv', in 'grompp' we have to do some changes in md.mdp, but 'tpbconv' takes everything automatically, tpbconv needs only .trr a