subject:"\[gmx\-users\] control atom in .hdb file"

Re: [gmx-users] control atom in .hdb file

2013-09-19 Thread Justin Lemkul

On 9/19/13 5:40 AM, xiao wrote: Dear all, I am developing the force field paramters of an organic molecule. I have a trouble when i wrote the hydrogen atom database (.hdb) file. I do not know how to write to control atom. The manual said that: Three or four control atoms (i,j,k,l), where th

[gmx-users] control atom in .hdb file

2013-09-19 Thread xiao

Dear all, I am developing the force field paramters of an organic molecule. I have a trouble when i wrote the hydrogen atom database (.hdb) file. I do not know how to write to control atom. The manual said that: Three or four control atoms (i,j,k,l), where the first always is the atom to whic