Hello, I want to generate the em.tpr file, but it arise the warning
like this :
Warning: atom name 1 in TBP_wat.top and 10tbpc12wat1.gro does not match (C13 -
OW)
Warning: atom name 2 in TBP_wat.top and 10tbpc12wat1.gro does not match (C10 -
HW1)
Warning: atom name 3 in TBP_wat.top and 10tbpc12wat1.gro does not match (C7 -
HW2)
Warning: atom name 4 in TBP_wat.top and 10tbpc12wat1.gro does not match (C6 -
OW)
Warning: atom name 5 in TBP_wat.top and 10tbpc12wat1.gro does not match (O5 -
HW1)
Warning: atom name 6 in TBP_wat.top and 10tbpc12wat1.gro does not match (P1 -
HW2)
Warning: atom name 7 in TBP_wat.top and 10tbpc12wat1.gro does not match (O4 -
OW)
My system is water and dodecane (from 0 to 5 nm of the z axis is water
box, 5 to 10 nm dodecane box), and the TBP dissolves in the dodecane, if
I overlook it , mdrun can not do the energy minimization well, and the TBP
molecule will be tattered.
I hope you can help me ,thank you very much!
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
