Re: Re: [gmx-users] basic units: acceleration conflict (revision)

Dear Nizamov, Thanks for this reply, now it makes more sense. Best, Nadir -Original Message- From: Nizamov Shawkat <[EMAIL PROTECTED]> To: Discussion list for GROMACS users Date: Mon, 16 Jun 2008 09:56:22 +0500 Subject: Re: [gmx-users] basic units: acceleration conflict (revision) > L

Re: [gmx-users] basic units: acceleration conflict (revision)

portant point into account. Please help... Best, Nadir -Original Message- From: David van der Spoel <[EMAIL PROTECTED]> To: Discussion list for GROMACS users Date: Sat, 14 Jun 2008 16:13:03 +0200 Subject: Re: [gmx-users] basic units: acceleration conflict (revision) CIHAN NADIR

[gmx-users] basic units: acceleration conflict (revision)

/ps^2, which corresponds to 10^15 m/s^2. So , for instance, when you set the acceleration in x direction greater than ~10^-7 in the mdp file, then according to given units, it is not physical." Sorry for typos. Best, Nadir -Original Message----- From: "CIHAN NADIR KAPLAN" &l

[gmx-users] basic units: acceleration conflict

Dear all, In the Gromacs manual, the basic units for length and time are given by nm(=10^-9 m) and ps(=10^-12s), respectively. When one wants to accelerate a group, he should include it in the *.mdp file in the units of nm/ps^2, which corresponds to 10^15 m/s. So , for instance, when you set th

[gmx-users] cannot print velocity information to trr/xtc files (Carbon Naotube inside water)

Dear all, I am doing a simulation of a carbon nanotube (CNT) inside water. First I am going to describe my problem and then give info about my simulation setup (initial conditions, parameters, etc.). My problem is as follows: (1) I am doing a *.gro file of a *.pdb of a (16,16) CNT, without usi