Re: [gmx-users] mdrun error during pr

Hi, What's settings for tc-grps, tau_t and ref_t in your mdp files? Regards, Yang Ye On 1/2/2007 8:59 PM, Dhananjay wrote: Hello all, I have minimized the pdb file and wish to do mdrun for position restrain dynamics. For this when I run grompp programm, it is showing error as follows. I do

Re: [gmx-users] mdrun error during pr

Hi Dhananjay, Happy new year :) Just what it says: not enough ref_t and tau_t values. You use "Protein" and "Sol" as temperature coupling groups, but likely, you also have ions in your system, which are not coupled now. You may want to use "Protein" and "Non-Protein" in stead. In case you have s

[gmx-users] mdrun error during pr

Hello all, I have minimized the pdb file and wish to do mdrun for position restrain dynamics. For this when I run grompp programm, it is showing error as follows. I don't understand why it is showing this error: processing coordinates... double-checking input for internal consistency... Velociti