Re: [gmx-users] pulling in opposite direction

2018-10-12 Thread Justin Lemkul
On 10/12/18 3:23 AM, Rakesh Mishra wrote: Dear Justin . Thanks for your response. And yes of course google is best friend for all. "distance" method requires Y/N, whereas the "direction" method requires a vector." But , "direction" method (where vector needs to define ) also gives the same

Re: [gmx-users] pulling in opposite direction

2018-10-12 Thread Rakesh Mishra
Dear Justin . Thanks for your response. And yes of course google is best friend for all. "distance" method requires Y/N, whereas the "direction" method requires a vector." But , "direction" method (where vector needs to define ) also gives the same result as we obtain the result in case of

Re: [gmx-users] pulling in opposite direction

2018-10-09 Thread Justin Lemkul
On 10/8/18 3:22 AM, Rakesh Mishra wrote: Dear Dr. Justin Thanks for your patience to reply me. I think for last 3-4 months we are discussing about the pulling. I agreed with your statement to [stop thinking concretely in terms of a "reference" and a "pulled" group ]. I am also not

Re: [gmx-users] pulling in opposite direction

2018-10-08 Thread Rakesh Mishra
Dear Dr. Justin Thanks for your patience to reply me. I think for last 3-4 months we are discussing about the pulling. I agreed with your statement to [stop thinking concretely in terms of a "reference" and a "pulled" group ]. I am also not thinking in terms of this nomenclature. I just

Re: [gmx-users] pulling in opposite direction

2018-10-05 Thread Justin Lemkul
On 10/5/18 12:47 AM, Rakesh Mishra wrote: Dear Justin thanks for ur reply. Which means in this case,both group will act as a reference group for each other. Then now my question is, why without using two biasing potential, in case of using one biasing potential for two group, If I do not

Re: [gmx-users] pulling in opposite direction

2018-10-04 Thread Rakesh Mishra
Dear Justin thanks for ur reply. Which means in this case,both group will act as a reference group for each other. Then now my question is, why without using two biasing potential, in case of using one biasing potential for two group, If I do not constrained reference group then it automatically

Re: [gmx-users] pulling in opposite direction

2018-10-04 Thread Justin Lemkul
On 10/4/18 3:09 AM, Rakesh Mishra wrote: Dear all. How it is possible to pull reference group as well as pull group using gromacs protocol simultaneously in opposite direction using umbrella protocol of pulling. So far non of the Gromacs expertise have given the answer of this question.