Re: [gmx-users] g_hbond and g_rdf in vacuum

2013-10-28 Thread Justin Lemkul
On 10/28/13 3:30 AM, Santu Biswas wrote: "Not working" is too vague a symptom for anyone to guess what the problem is, sorry. Mark On Oct 24, 2013 9:39 AM, "Santu Biswas" wrote: dear users, I am performing 500ps mdrun in vacuum for polypeptide(formed by 10-residues leu

Re: [gmx-users] g_hbond and g_rdf in vacuum

2013-10-24 Thread Mark Abraham
"Not working" is too vague a symptom for anyone to guess what the problem is, sorry. Mark On Oct 24, 2013 9:39 AM, "Santu Biswas" wrote: > dear users, > > I am performing 500ps mdrun in vacuum for polypeptide(formed > by 10-residues leucine) using gromacs_4.5.5(double-precision) us

[gmx-users] g_hbond and g_rdf in vacuum

2013-10-24 Thread Santu Biswas
dear users, I am performing 500ps mdrun in vacuum for polypeptide(formed by 10-residues leucine) using gromacs_4.5.5(double-precision) using opls-aa/L force field.Input file for 500ps mdrun is given below title= peptide in vaccum cpp= /lib/cp