[gmx-users] grompp erro
mark.j.abraham at gmail.com
Tue Jan 21 12:16:09 CET 2014
My question related to your choice at the N terminus. Your existing atoms
seem to be a methylated amine, which you probably should not want to change.
On Jan 21, 2014 9:17 AM, "Albert" <mailmd2011 at gmail.com> wrote:
> On 01/21/2014 12:46 AM, Mark Abraham wrote:
>> Why are you trying to make a methylated amine into an NH2 via your choice
>> of 1 for -ter?
> yes, for the c-term. I delete the frist residue Thr from my pdb file, and
> the problem solved. It seems that this error related the Thr at n-term.
> Gromacs Users mailing list
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users