Justin A. Lemkul wrote:
sarah k wrote:
dear Justin,
I should appreciate your guides in this period. They're really helpful
but again, I have some problem:
I started over, several times as you suggested. I replaced the name of
SOL with N2. The problem of coordinates was solved by manual addition
of #N2 molecules to topol.top each time. But this error appears:
Program grompp_d,
Source file: topio.c, line: 587
Molecule type 'N2' contains no atoms
Be sure your naming is consistent - the [moleculetype] and whatever
residue(s) that are part of it are separate concepts.
Posting whatever topology you're using for nitrogen would also be helpful.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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