[gmx-users] Re: gmx-users Digest, Vol 23, Issue 99

2006-03-31 Thread hayagreevan R
hi all, my gromacs is giving me this LINC ERROR.i found in the mailing list about this and found two suggestion, one to define it as dflexible and another to increase the tau_p to 20(my initial was 0.5).I did increase it step by step in some 20 runs, still the problem persists.the LINC error is

[gmx-users] (no subject)

2006-03-31 Thread hayagreevan R
hi all, my gromacs is giving me this LINC ERROR.i found in the mailing list about this and found two suggestion, one to define it as dflexible and another to increase the tau_p to 20(my initial was 0.5).I did increase it step by step in some 20 runs, still the problem persists.the LINC error is

[gmx-users] how to remove solvent molecules from xtc files

2006-04-04 Thread hayagreevan R
hi all, i am using this template of commands to remove the solvent molecules from the xtc file.but i found that the solvent molecues are not being deleted from the xtc file.The trajectory shows distorted image in vmd when loaded on pdb file but works fine when loaded on .gro file which also has