[gmx-users] is it my mdp's wrong?
zzhwise1 at 163.com
Fri Sep 15 06:16:57 CEST 2006
my system is lb film of 36 c14cooh long chains! my gro and itp wrote correctly,but when i used the l-bfgs to minimize the system ,the grompp show invalid order "moleculetype",when use the MD ,it showed the atom number in gro not the same as in itp?
is it my mdp's wrong?
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users